Acta Crystallographica C52 (1996) - All CIFs in the 1996 CIF Archive ==================================================================== Machine_Tests ============= (a) Status: ------ A = absolute configuration in title or comment D,E = Belonging to symmetry set D or E S = SHELX refinement (b) Alerts caused by the following tests: ------------------------------------- Numbers 1-9 indicate failure of one of the following tests: (TEST01) If (space group centrosymmetric and x(u)!='.') then issue alert A with comment:<> (TEST02) If (space group non-centrosymmetric and x(u) is incomplete) then issue alert A with comment: <> 'incomplete' means that either no numerical value of x is present or for u(x) either no numerical value or 0 have been given. (TEST03) This test has been rolled in together with TEST02. (TEST04) If (space group non-centrosymmetric and x is not in the domain -3u =< x =< 1 + 3u) then issue alert A with comment: <> (TEST05) If (crystal class in Set_E and x > 0.5 and |x/u| > FAR and |(1-x)/u| < NEAR ) then issue alert A with comment: <> (TEST06) If ( _refine_ls_abs_structure_Flack is not empty and _refine_ls_abs_structure_details is empty) then issue alert C with comment: <> (TEST07) If ("absolute configuration" does NOT appear in the title or text and crystal class in Set_E and |x/u| < NEAR and |(1-x)/u| > FAR) issue alert A with comment: <> (TEST08) If (|(x-0.5)/u| < NEAR) issue alert C with comment: <> (TEST09) If (crystal class is in Set_D and refinement programme was SHELXL93/96 and x/u > NEAR and (1-x)/u > NEAR ) then issue alert A with comment: <> Flack_Code_and_Comments ======================= Individual articles are flagged by 'Flack_Code_and_Comments' that attracted my attention for one reason or another concerning absolute structure or absolute configuration whilst studying the PRINTED version of Acta Crystallographica C52 (1996). There are one or two articles from C51 as well. The list is not exhaustive. Some categories of error only became apparent after some study and no attempt was made to return to complete the list. The type of condition is indicated by a code. In some cases a fuller quotation or comment is given after the end of the main table. From previous experience, I did not attempt to examine whether Friedel opposites had been measured. With the current CIF data names this is a complicated task and would inevitably have entailed too much time and interpretation. A No mention of any sort of absolute structure treatment from anomalous dispersion B Possible polar dispersion error C Curious comment in text H Hamilton test or just comparing R factors of structure and inverted structure I In Hamilton test there is a too weak indication due to the coordinates of the structure having been refined in both the correct and inverted structures. M Value of x (eta) is given in text or _details but not in _refine_ls_abs_structure_Flack N x used but value not reported O Overinterpreted value of x - x does not justify absolute structure determination R Roger's parameter used S Possible error due to the Sheldrick-Flack approximation V Possibly averaged reflection data in the Laue symmetry group Y For an achiral compound the words absolute configuration appear because there are several structures, some chiral, some achiral in the same publication. Z No interpretation of a valid absolute structure determination from anomalous dispersion Acta Crystallographica C52 (1996) ================================= Ref No Page Space Group x u Title Molecular formula _abs_struc_details x/u 1-x/u Machine_Test Flack_Code_and_comment Ref No Page Space Group x u Title Molecular formula _abs_struc_details x/u 1-x/u 123456789ADES Flack_Code_and_comment AS1206 973 P 21 21 21 0.07 0.17 Three Protected Tetrapeptides C24 H36 N4 O7 S,2H2 O1 Flack (1983) 0.4 5.5 7 ES CF1043 773 P 21 21 21 -0.05 0.03 1-Ferrocenyl-2-phenylethanedione [Fe (C5 H5) (C13 H9 O2)] Flack (1983) -1.7 35.0 ES KA1151 933 P 21 21 21 -0.02 0.01 Absolute Configuration of 6-O-p-Bromoben C33 H43 Br O7 ? -2.0102.0 A E NA1134 1038 P 21 21 21 0.00 0.39 X-ray Structure Investigations of Potent C17 H19 N1 O2 Flack (1983) paramet 0.0 2.6 8 A ES PA1207 982 P 21 21 21 1.56 5.59 5-Amino-1,2-dimethylimidazole C5 H9 N3 Flack parameter (Fla 0.3 -0.1 8 E M CF1114 1928 P 21 21 21 0.03 0.03 Cyanoferrocene: a Two-Dimensional Networ [Fe (C5 H5)(C6 H4 N1)] Flack (1983) paramet 1.0 32.3 7 ES FG1173 1968 P 21 21 21 -0.03 0.01 Chlorobis[2-(diphenylphosphino)phenolato [Re Cl O (C18 H14 O P)2] Flack (1983) -3.3103.3 4 A ES JZ1097 2029 P 21 21 21 -0.02 0.29 (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidin C22 H27 N O5 Flack (1983) -0.1 3.5 ES JZ1097 2029 P 21 21 21 0.20 1.30 (2R)-3-[(4S)-4-Benzyl-2-oxo-3-oxazolidin C21 H25 N O5 Flack (1983) 0.2 0.6 8 ES KA1195 2063 P 21 21 21 0.56 0.07 Two N-Aryl-Substituted Silyl Carbamates C10 H14 Br1 N1 O2 Si1 Flack (1983) paramet 8.0 6.3 8 ES SK1036 1987 P 21 21 21 0.01 0.01 An Arylsulfonyloxazolidine C21 H23 N O4 S Flack (1983) 0.6 70.8 7 ES TA1029 2058 P 21 21 21 0.17 0.31 Antihypertensive C17 H18 N2 O6 Flack (1983) paramet 0.5 2.7 8 ES TA1077 2049 P 21 21 21 0.08 0.10 2,2,6,6-Tetramethylpiperidinium Chloride C9 H20 N + , Cl - Flack (1983) 0.8 9.2 7 ES AB1392 3047 P 21 21 21 -0.04 0.03 Triple-Decker Pentalene Complex of Iron [Co Fe (C8 H7) (C10 H15) (C8 H6)] Flack (1983) -1.3 34.7 7 ES Z BM1098 3227 P 21 21 21 0.50 0.40 (S),(E)-5-Methoxycarbonyl-2-triphenylmet C27 H25 N O4 Flack (1983) 1.2 1.2 8 A ES BM1111 3067 P 21 21 21 0.20 0.40 The Major Isoxazoline Cycloadduct from R C22 H31 N O12 Flack (1983) 0.5 2.0 8 E HA1167 3147 P 21 21 21 0.01 0.30 (S)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-n C12 H18 N O2 + . C8 H7 O3 - Flack (1983) 0.0 3.3 A ES MU1282 3210 P 21 21 21 -0.59 1.91 Methyl (1R,2R)- and (1S,2S)-1-Cyano-2-[( C11 H15 N O4 see Comment -0.3 0.8 8 A ES MU1282 3210 P 21 21 21 -3.00 3.82 Methyl (1R,2R)- and (1S,2S)-1-Cyano-2-[( C11 H15 N O4 see Comment -0.8 1.0 8 A ES SK1021 3121 P 21 21 21 0.00 0.02 Quitenidinium Ethyl Ester Ethyl Sulfate C21 N2 O4 H27 1+ , C2 H5 S O4 1- Flack (1983) 0.0 50.0 A ES Z SX1013 3112 P 21 21 21 0.11 0.09 A Cyclic Side-Chain-Linked Biphenyl Ethe C28 H30 N3 O5 + , Cl - Flack (1983) 1.2 9.9 7 E SX1014 3207 P 21 21 21 0.00 0.06 Stereochemistry of Chiral Sulfoxides us C16 H15 N O3 S Flack (1983) 0.0 16.7 A ES KA1127 463 P 21 21 21 -0.90 0.75 Conformational Analysis of (S,S)-Dimethy C17 H23 N O7 Flack (1983) -1.2 2.5 ES A MU1206 411 P 21 21 21 -0.06 0.14 Unsymmetrically Substituted Thioureas. 1 C10 H14 N2 S1 Flack (1983) paramet -0.4 7.6 7 ES Z MU1206 411 P 21 21 21 -0.11 0.08 Unsymmetrically Substituted Thioureas. 1 C12 H18 N2 S1 Flack (1983) paramet -1.4 13.9 7 ES Z SZ1047 379 P 32 2 1 -2.30 1.30 2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxad C34 H28 O4 Flack (1983) paramet -1.8 2.5 A S M AB1309 148 P 21 21 21 0.25 0.33 2-Methylthio-5-nitroso-6-N-(2,3,4-tri-O- C16 H20 N4 O9 S1 Flack (1983) paramet 0.8 2.3 8 ES AS1197 134 P 21 21 21 -0.04 0.08 1,3-Bis(2-chlorophenyl)thiourea C13 H10 Cl2 N2 S1 Flack (1983) paramet -0.5 13.0 7 ES Z BM1029 125 P 21 21 21 -0.67 1.83 N,N'-Bis(2-hydroxybenzylidene)-2,2-dime C19 H22 N2 O2 Flack H D (1983), Ac -0.4 0.9 8 ES CF1028 226 P 21 21 21 0.04 0.04 2-Cyano-2-methylsparteine Perchlorate C17 H28 N3 1+, Cl O4 1- Flack (1983) paramet 1.0 24.0 7 ES Z CR1177 220 P 21 21 21 0.36 2.74 The 1:1 Complex Formed by 4-Nitropyridin C5 H4 N2 O3,C7 H7 N O2 Flack (1983) 0.1 0.2 8 ES N SX1002 155 P21 21 21 -0.38 0.34 Polymerizable Methacrylate Carbohydrate C16 H24 O7 Flack H D (1983) -1.1 4.1 A ES SZ1044 237 P 21 21 21 -0.30 0.40 Structural Aspects of the Nucleophilic A C14 H16 O2 Flack (1983) -0.8 3.2 A ES AB1324 1693 P 21 21 21 -0.11 0.31 The Linear Tripeptide L-Alanylglycyl-L-a C8 H15 N3 O4 Flack (1983) -0.4 3.6 ES LI1145 1767 P 21 21 21 -0.08 0.22 Intermediates in the Synthesis of (+)-Gr C15 H20 O4 S Flack (1983) -0.4 4.9 ES NA1223 1810 P 21 21 21 -0.54 2.67 (Z)-4-[(S)-2,2-Dimethyl-1,3-dioxolan-4-y C15 H15 N1 O4 -0.2 0.6 8 ES AS1221 1505 P 21 21 21 -0.40 1.80 p-(Dimethylamino)benzaldehyde Isonicotin C15 H16 N4 O,H2 O Flack (1983) -0.2 0.8 8 ES MU1209 1436 P 212121 -0.03 0.05 Tris(\h^5^-cyclopentadienyl)phenolatonep [Np (C~6~H~5~O)(C~5~H~5~)~3~ ] Flack (1983) -0.6 20.6 7 ES Z NS1003 1558 P 21 21 21 -0.26 0.23 1-O-Benzyl-\b-L-arabinopyranose, C12 H16 O5 Flack H D (1983), Ac -1.1 5.5 7 ES CF1019 566 P 21 21 21 -0.15 0.24 Tetrachlorobis(tetrahydrofuran-O)zirconi [Zr Cl4 (C4 H8 O1)2] Flack (1983) paramet -0.6 4.8 ES HU1074 739 P 21 21 21 -0.06 0.15 cis,trans-4,5-Diphenyl-1,3,2-dioxathiola C14 H12 O3 S Flack (1983) -0.4 7.1 7 ES KH1049 509 P 21 21 21 -0.02 0.02 (Acetato-O,O')[tris(2-aminoethyl)amine-N [Ni1 (C2 H3 O2)(C6 H18 N4)] Cl1 O4 Flack (1983) paramet -1.0 51.0 7 ES Z NA1198 691 P 21 21 21 0.51 0.08 2-[(3-Furoyl)aminomethyl]-1,7-dimethyl-5 C23 H24 N3 O2 1+, Cl1 1- 6.4 6.1 6 8 ES MSC TA1034 709 P 21 21 21 3.90 2.70 A Sesterterpene Lactone from Petrosaspon C27 H40 O6 Flack (1983) paramet 1.4 -1.1 8 ES M AS1219 1146 P 21 21 21 0.12 0.03 [N,N'-1,3-Propylenebis(salicylaldimine)] [Co (C17 H16 N2 O2) (C5 H5 N)2] (C24 H20 B) , C5 H Flack (1983) 4.0 29.3 ES BK1197 1300 P 21 21 21 -2.20 2.90 Hippuryl-L-histidyl-L-leucine, a Substra C21 H27 N5 O5, 5H2 O Flack H D (1983) -0.8 1.1 8 ES CF1045 1310 P 21 21 21 -0.29 3.28 A Naphthofuranoquinone C20 H10 O3 Flack (1983) paramet -0.1 0.4 8 ES M DE1015 1213 P 21 21 21 0.22 0.38 1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)- C11 H15 N5 O4 Flack (1983) 0.6 2.1 8 E KA1164 1302 P 21 21 21 1.12 1.18 A Side-Chain Substituted Cholesterol Ana C30 H48 O5 Flack (1983) paramet 0.9 -0.1 8 ES TA1065 1274 P 21 21 21 -5.66 3.34 (1R,2S,4R)-2-Benzyloxy-4-methoxy-5-(1-me C17 H24 O4 not determined -1.7 2.0 ES TA1065 1274 P 21 21 21 2.44 4.39 (1R,2S,4R)-2-Benzyloxy-4-methoxy-5-(1-me C15 H20 O4 not determined 0.6 -0.3 8 ES BM1086 2853 P 21 21 21 0.04 0.03 Directly Linked C-Disaccharides: Structu C21 H29 N O7 S , H2 O Flack (1983) 1.3 32.0 7 ES BM1086 2853 P 21 21 21 -0.21 0.17 Directly Linked C-Disaccharides: Structu C19 H28 O8 Flack (1983) -1.2 7.1 7 ES CF1098 2822 P 21 21 21 0.17 0.17 17\b-Isopropylsparteine and 17\b-Isoprop C18 H34 N2 2+ , 2Cl O4 - Flack (1983) 1.0 4.9 ES CF1102 2777 P 21 21 21 -0.35 1.73 2-{1-[(2-Amino-4,5-dimethylphenyl)imino] C16 H18 N2 O Flack (1983) paramet -0.2 0.8 8 ES FG1119 2892 P 21 21 21 -1.33 2.10 3\b,4\a-Dihydroxy-5\b-androstan-17-one C19 H30 O3 Flack H D (1983), Ac -0.6 1.1 8 A ES A FG1222 2779 P 21 21 21 -0.04 0.05 A Sulphonyl-Substituted Aziridine C14 H19 N O4 S Flack (1983) -0.8 20.8 7 E Z KA1191 2903 P 41 21 2 0.91 1.10 Boc-Phe-Aminomalonaldehyde C17 H22 N2 O5 Flack (1983) paramet 0.8 0.1 8 ES A KA1197 2899 P 21 21 21 0.32 0.89 Three Testosterone Derivatives C21 H30 O3 Flack (1983) paramet 0.4 0.8 8 ES KA1197 2899 P 21 21 21 -0.46 0.99 Three Testosterone Derivatives C28 H37 N O3 Flack (1983) paramet -0.5 1.5 8 ES PA1231 2839 P 21 21 21 -0.30 1.70 2,6-Dibenzoylhydroquinone C20 H14 O4 Flack (1983) -0.2 0.8 8 ES AB1351 2412 R 3 2 0.48 0.04 Perchlorotriphenylcarbenium Hexachloroan C19 Cl15 1+ , Sb Cl6 1- 12.0 13.0 6 8 ES SV CF1133 2465 P 31 2 1 -0.02 0.04 1,1'-Ferrocene-diylbis(2-phenylethanedio [Fe (C13 H9 O2)2] Flack (1983) parame -0.5 25.5 S FG1184 2396 P 21 21 21 -0.01 0.01 Derivatives of Bis(diphenylphosphino)di [Au2 Cl2 (C25 H20 F2 P2)] Flack (1983) -0.5 83.8 7 ES HA1160 2556 P 21 21 21 0.00 0.07 \a-5-Adamantyl-4'-thio-2'-deoxyuridine M C19 H26 N2 O4 S, C H4 O Flack (1983) 0.0 14.3 7 ES Z KA1189 2566 P 21 21 21 0.40 0.50 11,12,4''-Tri-O-methylazithromycin Monoh C41 H78 N2 O12, H2 O Flack (1983) 0.8 1.2 8 ES KA1199 2406 P 21 21 21 0.03 0.03 Cyanobis(1,10-phenanthroline-N,N')copper [Cu (C N)(C12 H8 N2)2 ]2 (N C S)2 , C12 H8 N2 , 5. Flack H D (1983), Ac 1.0 32.3 7 ES Z SK1015 2558 P 21 21 21 0.76 0.41 (2aS,3S,6S,7S,7bR)-7-[(Dimethylphenyl)si C31 H39 N1 O7 Si1 Flack (1983) 1.9 0.6 8 A ES KA1161 2256 P 21 21 21 -1.16 1.27 2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro C24 H32 O5 -0.9 1.7 8 A ES C (absolute structure) KA1183 2258 P 21 21 21 -1.04 1.64 A Fluorinated D-Homoestrone Derivative C26 H31 F N2 O3 Flack (1983) paramet -0.6 1.2 8 ES KA1193 2266 P 21 21 21 -0.01 0.02 Glycyl-L-histidinium Chloride Dihydrate: C8 H13 N4 O3 +, Cl -, 2H2 O Flack H D (1983), Ac -0.5 50.5 7 ES AB1343 1488 P 21 21 21 0.02 0.05 Accurate Redetermination of Diiodobis(ph C13 H10 I2 O4 S2 Flack (1983) 0.4 19.6 7 ES KA1190 3165 P 21 21 21 -0.80 1.04 (3S,5S,1'S)-3-Benzyl-5-[1'-(tert-butylox C24 H29 N O4 Flack H D (1983), Ac -0.8 1.7 ES JZ1074 978 P 212121 -0.03 0.70 4-tert-Butyloxycarbonyl-6(S)-(hydroxym C13 H24 N2 O4 Flack H D (1983), Ac -0.1 1.5 A ES M JZ1101 1574 P 21 21 21 0.10 0.70 The New Pentacyclic Saponine Ecdysanther C21 H26 O4 Flack (1983) 0.1 1.3 A ES SZ1005 252 P 21 21 21 -2.30 1.30 N-(p-Tolyl)-amine-1-D-fructose from a C13 H19 N1 O5 -1.8 2.5 E A BR1104 757 P 21 21 2 0.00 0.00 Octacaesium Decatungstosilicate Nonahydr Cs8 [Si W10 O36] , 9H2 O 2 6 E A HR1034 51 P 21 21 21 0.00 0.00 Di-\m-sulfato-O:O'-bis[(2-aminopyrimidin [Ni (C4 H5 N3) (H2 O)5] S O4, C4 H5 N3 none 2 A E A KH1025 1159 C 2 2 21 0.00 0.00 Bis[bis(4-methylthiazolin-2-ylidene)gold [Au (C4 H5 N S)2] [Zn Cl4]0.5 , C0.5 H Cl Flack_xabs_refined 2 E A BM1101 3195 P 21 21 21 0.00 0.00 (Z)-N-Formylnornuciferin Isolated From P C19 H19 N O3 not determined 2 E PT1029 1581 P 21 21 21 1.22 0.16 (S)-1,10-Dimethoxy-2,9-dihydroxyaporphin C19 H22 N O4, Cl Rogers (1981) E R AS1206 973 P 21 21 21 Three Protected Tetrapeptides C25 H38 N4 O7,2H2 O1 ES AS1206 973 P 21 21 21 Three Protected Tetrapeptides C25 H38 N4 O7,2H2 O 7 ES FG1098 993 P 21 21 21 cis-1,5-Dimethyl-2,4-dinitro-2,4-diazabi C7 H10 N4 O5 ES HL1041 879 P 21 21 21 Palladium Complexes of 1,4,7-Trithiacyc [Pd Cl2 (C7 H14 S3 )] E A KA1134 895 P 21 21 21 Two Diastereomers of Benzylidene-D-eryt C11 H10 O4 E KA1134 895 P 21 21 21 Two Diastereomers of Benzylidene-D-eryt C11 H10 O4 E TA1063 1003 P 21 21 21 Trichotomine Dimethyl Ester C32 H24 N4 O6, 2C4 H10 O1 E FG1181 2095 P 21 21 21 (+)-(4bR,8bR,8cR,8dR)-Tetrahydrodibenzo[ C40 H30 P2 A E KA1186 1997 P 21 21 21 17\b-Estradiol 3-Benzoate C25 H28 O3 ES SZ1020 2043 P 21 21 21 Leonotinin C20 H26 O5 E A TA1056 2040 P21 21 21 4,4'-Oxybispyridine and 4,4'-Selenobispy C10 H8 N2 O ES AB1352 2951 P 21 3 A New Langbeinite: Dipotassium Dimangan K2 Mn2 (Be F4 )3 E A AB1353 2954 P 21 3 Langbeinite-Type Cubic Dithallium Dica Tl2 Cd2 (S O4 )3 E A BM1085 3179 P 21 21 21 An Optically Active Pentacoordinate Sili 2C6 H16 N +,C20 H14 O12 Si2 2- E A BM1092 3218 P 21 21 21 Methyl \a-D-Lyxopyranoside C6 H12 O5 E CF1104 3104 P 21 21 21 (E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-( C18 H14 Cl1 N1 S1 E A FG1227 3236 P 21 21 21 5-(2-Aminophenyl)-1,3,4-oxadiazole-2(3H) C8 H7 N3 O2 E HA1161 3181 P 21 21 21 Oxopregnenyl 4-Allyloxybenzoate C31 H40 O4 E A FR1004 3078 P 21 21 21 2-Acetylbenzoic acid: Phthalide Form C9 H8 O3 E A KA1169 3193 P 21 21 21 (-)-Thebaine C19 H21 N1 O3 E LI1150 3159 P 21 21 21 Hydrogen Bonding in 4,4-Dimethylcyclohex C8 H12 O2 ES PA1242 3240 P 21 21 21 2\a,3\a:7\a,8\a-Di\'epoxy-cis-himachalan C15 H24 O2 E SK1041 2970 P 21 21 2 The Sodium Salt of N1-Deprotonated Inosi Na + , C10 H11 N4 O5 - , 2.5H2 O Flack (1983) paramet ES AB1271 297 P 43 21 2 Dichloro(ethylenediaminetetraacetic acid [Pt Cl2 (C10 H16 N2 O8)], 6H2 O See comment. E HIZ BK1182 409 P 21 21 21 2-Phenylquinoline-4-carboxylic Acid C16 H11 N1 O2 E CR1178 325 P 21 21 21 Sodium 3\a,7\a,12\a-Trihydroxy-5\b-chola Na 1+, C24 H39 O5 1-, C2 H6 O1 ES A PT1015 381 P 21 21 21 2,3,4,5-Tetra-O-acetyl-1,6-di-O-(triphe C52 H50 O10 E A TA1053 366 P 21 21 21 4-Aza-9(10H)-acridone C12 H8 N2 O1 ES BM1031 192 P 21 21 2 Di-n-octadecylammonium Bromide C36 H76 N1 1+, Br1 1- E A CR1191 122 P 21 21 21 A Dihydromorphine-6-O-sulfate C19 H23 N O7 S ES A HA1110 150 P 21 21 21 5-Hexylamino-1,2-benzoquinone 2-Oxime Mo C12 H18 N2 O2, H2 O E A NA1197 218 P 21 21 21 Structures of Chiral Nitrones. II. C15 H22 N2 O3 A ES SZ1016 117 P 21 21 21 Emmotin 2: (2R,3S)-2,6-Dihydroxy-3-(1-hy C15 H20 O4 E BK1158 1823 P 21 21 21 2'-Deoxycytidine-N3-cyanoborane C10 H15 B N4 O4 E A BK1167 1736 P 21 21 21 O-Phospho-DL-threonine and O-Phospho-L-t C4 H10 N O6 P E AC (Wallach's Rule) BK1211 1838 P 21 21 21 Anthracene-1,8-dicarboxylic Acid C16 H10 O4 E A FG1174 1781 P 21 21 21 (1R,2R)-4,4-Dimethylpyrazolidine-3,5-dio C10 H16 N2 O5 E AC "Absolute Chirality" KH1014 1841 P 21 21 21 An Orthorhombic Phase of 3,6-Di(2-pyridy C12 H10 N6 E TA1079 1806 P 21 21 21 Structural Studies of Mitomycins. VII. M C15 H17 N3 O3 A E TA1085 1639 P 21 21 21 trans-Dichlorobis[(R,R)-1,2-phenylenebis [Ru Cl2 (C20 H20 P2)2] E AC (Looking for 2nd harmonics) BK1206 1452 P 21 21 21 \b-Isopipitzol C15 H20 O3 A E FG1120 1525 P 21 21 21 Hemiasterlin Methyl Ester C31 H48 N4 O4 A E KA1162 1479 P 21 21 21 Oxyacanthine C37 H40 N2 O6 ES PT1035 1458 P 21 21 21 Trinervinol\\dag C20 H34 O4 E PT1039 1460 P 21 21 21 Acetonide-3-trinervinone\\dag C23 H36 O4 E SX1005 1552 P 21 21 21 (2'S,3'S,4'R)-5'-O-Benzoyl-3'-deoxy-3'\b C26 H39 N2 O9 P1 Si1 2'S,3'S,4'R (known i E SZ1030 1527 P 21 21 21 Humilinolide D\\dag C31 H38 O11 E JZ1071 669 P 21 21 21 (2R,3R,5S,6S)-2,3-Diethoxy-5,6-bis(hydro C12 H24 O6 A E KA1118 648 P 21 21 21 n-Butyl(carboxymethyl)dimethylammonium B C8 H18 N1 O2 1+, Br1 1- E A KA1142 493 P 21 21 21 Hydrazinium(1+) Hexafluorogallate(III) a (N2 H5)3[Ga F6] E A OH1086 573 P 21 21 21 Sodium (Ethylenediaminetetraacetato)gall Na [Ga (C10 H12 N2 O8 )], 3H2 O E A PA1209 689 P 21 21 21 A New Pyrethroid Insecticide, RU41414 C17 H14 F6 O4 E A TA1051 557 P 21 21 21 [R-(R*,R*)]-(\h^5^-Cyclopentadienyl)[1,2 [Fe (C5 H5)(C8 H9 P)(C20 H20 P2)] P F6 E HI AB1260 1193 P 21 21 21 Effects of Cation Interactions on Sugar Ca 2+ , Cl 1- , C12 H21 O12 1- , 4 H2 O E AB1260 1193 P 21 21 21 Effects of Cation Interactions on Sugar K 1+ , C12 H21 O12 1- E AB1260 1193 P 21 21 21 Effects of Cation Interactions on Sugar Na + , C12 H21 O12 1- , H2 O E BK1172 1296 P 21 21 21 (9S,9aR)-1,3,4,6,7,8,9,9a-Octahydro-2H-q C13 H20 N2 S2 see experimental E HI BK1181 1272 P 21 21 21 A Pyrazoline Derivative of Eunicin Aceta C23 H34 N2 O5 A E DU1093 1316 P 21 21 21 (2R,5S)-2,3-Diphenyl-1,3,2-diazaphosphab C17 H22 B1 N2 P1 A E SZ1018 1101 P 21 21 21 Two Forms of Bromo(cycloheptatrienyliden [Pt Br (C7 H6) (C18 H15 P)2] B F4 , C4 H8 O E A CF1085 2941 P 21 21 21 N'-[Bis(methylthio)methylene]cyanoacetoh C6 H9 N3 O S2 E A CF1104 2945 P 21 21 21 (E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-( C18 H14 Cl1 N1 S1 E HR1025 2684 P 21 21 21 trans-(5,7,7,12,14,14-Hexamethyl-1,4,8,1 [Co (N C S )2 (C16 H32 N4 ) ] (S C N) A E A JZ1144 2805 P 21 21 21 (1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramet C21 H29 N O4 S Flack (1983) paramet A ES VJ1038 2871 P 21 21 21 L-Leucyl-L-alanine Dimethyl Sulfoxide So C9 H18 N2 O3 , C2 H6 O S E A AB1372 2601 P 21 21 21 Four Diterpene Isonitriles from the Spon C21 H31 N A E AB1372 2601 P 21 21 21 Four Diterpene Isonitriles from the Spon C21 H31 N A E AB1372 2601 P 21 21 2 Four Diterpene Isonitriles from the Spon C21 H31 N A E BK1219 2491 I 41 2 2 [pyH^+^]~2~[CdNb~2~(py)~4~O~2~F~10~] (C5 H6 N)2 [Cd Nb2 F10 O2(C5 H5 N)4] E A BK1236 2495 P 21 21 21 Sodium Cholate Methanolate and Sodium Ch Na + , C24 H39 O5 - , C1 H4 O1 known fragment ES A BM1043 2615 P 21 21 21 3'-Deoxy-2',3'-difluorothymidine, a Nucl C10 H12 F2 N2 O4 E A CF1110 2520 P 21 21 21 Multiple Hydrogen Bonds in Pyridine-2,6- C9 H12 O3 the data did not all ES A DE1032 2563 P 21 21 21 [3.1.0]-Fused 2',3'-Modified \b-D-Pyrazo C13 H16 N4 O4 S2 ES A NA1237 2536 P 21 21 21 Chiral Hydroxylamines. II. (1R,2R)-N-Be C22 H30 N2 O5 A ES NA1251 2641 P 21 21 21 A New Conformationally Restricted C16 H17 N O6 ES OH1096 2393 P 3 2 1 Strontium Tetragermanate, SrGe~4~O~9~ Sr Ge4 O9 A SK1014 2597 P 21 21 21 Product of a Novel Carbocyclic Enlargeme C20 H32 O4 E BM1048 2332 P 21 21 21 4-Amino-1-(2-deoxy-\b-D-ribofuranosyl)-6 C12 H17 N3 O4 ES A KA1177 2261 P 21 21 21 17\a-Ethynyl-19-nor-3-oxo-4-androsten-17 C22 H28 O3 ES A KA1188 2305 P 21 21 21 Diethyl C39 H43 O6 P3, H2 O E A KH1092 2365 P 41 21 2 Structural Studies of Mitomycins. VIII. C15 H18 N4 O5 , 1.5H2 O A E A NA1238 2218 P 21 21 21 Crystalline Complexes Involving Amino Ac C8 H10 N O2 1+ , C4 H O4 1- , H2 O E A TA1076 2229 P 21 21 21 Lupulin D C25 H38 O8 E A VJ1018 110 P 21 21 21 Tricoccin S~43~ C27 H34 O5 E CF1035 953 P 21 0.14 0.24 (S)-1-Acetoxymethyl-2-acetyl-1,2,3,4-tet C17 H23 N O5 Flack (1983) paramet 0.6 3.6 8 ADES O AB1320 1045 P 1 -0.02 0.07 Absolute Configuration of (S)-(+)-[(Benz C30 H48 N2 O3 S Si Flack (1983) paramet -0.3 14.6 ADE BM1066 2111 P21 -0.08 0.13 Redetermination of Cholesteryl p-Toluene C34 H52 O3 S Flack (1983) -0.6 8.3 7 DES CF1077 1985 P 1 0.06 0.02 Nearly Centrosymmetric (S)-7-(2,6-Dichlo C23 H26 Cl2 N4 O3 Flack (1983) paramet 3.0 47.0 9ADES KA1192 2090 P 21 0.00 0.03 1-Phenyl-2-(propylamino)pentane, a Memor C14 H24 N1 1+, Cl 1- Flack (1983) paramet 0.0 33.3 7 DES AB1376 3002 P 1 21 1 -0.02 0.01 [(trans-1R,2R-Cyclohexanediamine-N,N')(L [Pt (C6 H6 O6) (C6 H14 N2)] , 3H2 O Flack (1983) -2.7113.8 DES Z BR1148 2949 P 21 0.10 0.04 NaYP~2~O~7~ NaYP2O7 Flack H D (1983), Ac 2.5 22.5 9 DES S CF1116 3142 P 21 -0.01 0.03 Penicillin V Benzhydryl Ester Sulfoxide C29 H28 N2 O6 S,H2 O Flack (1983) -0.3 33.7 7 DES Z FG1223 3025 R3 -0.05 0.02 Chlorotris(m-methoxyphenyl)tin(IV) [Sn Cl (C7 H7 O)3] Flack H D (1983), Ac -2.5 52.5 DES Z KA1200 3095 P 21 -0.10 0.50 3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3 C18 H22 O5 -0.2 2.2 6 8 DES SK1042 2972 P 1 -0.01 0.01 A Homoleptic Cuprate(II) Complex with De Li2 [Cu (C6 H8 O5)2] , 8H2 O Flack (1983) -0.9 72.3 7 DES SX1014 3207 P 21 -0.21 0.25 Stereochemistry of Chiral Sulfoxides us C18 H27 N O2 S Flack (1983) -0.8 4.8 ADES SX1014 3207 P 21 -0.20 0.17 Stereochemistry of Chiral Sulfoxides us C18 H27 N O2 S Flack (1983) -1.2 7.1 ADES TA1099 3204 P 21 0.00 0.02 cis and trans-4-tert-Butylcyclohexyl p-N C16 H23 N O5 S Flack (1983) 0.0 50.0 7 DE Z AS1213 407 P 21 -0.02 0.02 The \a-Pyridyl Nucleoside Analogue C10 H12 Br N O3 Flack (1983) -1.0 51.0 7 DES Z CF1052 420 P 21 -0.50 1.20 Tris(4-methoxyphenyl)methanol C22 H22 O4 Flack (1983) paramet -0.4 1.2 8 DES FG1089 455 P 1 21 1 0.08 0.03 1-(4-Iodobenzoyl)-5-methoxy-2-methyl-3-i C19 H16 I N O4 Flack (1983) paramet 2.7 30.7 9 DES LI1139 416 C 2 -0.17 0.22 Methyl 3-O-Benzoyl-4,6-O-benzylidene-2-O C22 H21 F3 O9 S Flack (1983) -0.8 5.3 7 DES PA1198 393 P21 -0.03 0.43 Absolute Configuration of (R)-1-Phenylet C8 H12 N 1+, C14 H13 O3 1- Flack (1983) -0.1 2.4 8 ADES AB1277 246 P 21 0.29 0.90 (2E,4'S)-2-(4'-Benzyl-2'-oxo-3'-oxazolid C21 H19 N O5 x = 0.3 (Flack, 1983 0.3 0.8 8 DES AB1310 145 P 21 0.10 1.32 6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3 C21 H26 N2 O12 Flack (1983) paramet 0.1 0.7 8 DES C AB1310 145 P 21 -0.02 0.13 6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3 C21 H26 N2 O11 S Flack (1983) paramet -0.2 7.8 7 DES C DU1136 1 P 1 0.18 0.35 Triclinic \a-LiNaCO~3~ Li1 Na1 C1 O3 Flack (1983) 0.5 2.3 8 DES N MU1203 129 P 21 -0.06 0.05 Disodium D-3-Phosphoglycerate (a Reinves 2Na + , C3 H5 O7 P 2- Flack (1983) -1.2 21.2 7 DES Z MU1203 129 P 21 -0.12 0.08 Disodium D-3-Phosphoglycerate (a Reinves 2C6 H14 N 1+, C3 H5 O7 P 2- , 2H2 O Flack (1983) -1.5 14.0 7 DES Z NA1177 212 P 21 -0.14 0.26 (22S)-21-Acetoxy-11\b-hydroxy-16\a,17\a- C26 H34 O8 Flack (1983) paramet -0.5 4.4 DES SX1002 155 P21 -0.01 0.17 Polymerizable Methacrylate Carbohydrate C16 H24 O7 Flack H D (1983) -0.1 5.9 ADES AB1288 1743 P 1 -4.66 3.02 (5R)-5-[(S)-\a-Hydroxybenzyl]-5-(L-menth C25 H35 N O4 Flack H D (1983), Ac -1.5 1.9 ADES A CF1061 1791 P 1 21 1 -0.01 0.05 Absolute Configuration of Chlorojanerin, C19 H23 Cl1 O7 Flack (1983) -0.2 20.2 ADE KA1165 1853 P 21 -0.60 1.87 Phase Transition and Expected Non-Linear C21 H15 N1 O3 Flack (1983) paramet -0.3 0.9 8 DES DE1026 1776 C 1 2 1 0.00 3.00 5'-O-Benzoyl-2',3'-dideoxy-2'-oxo-\a-uri C16 H14 N2 O6 Flack (1983) paramet 0.0 0.3 8 DES KA1180 1845 P 1 21 1 0.00 0.01 L-Histidyl-L-tyrosinium Dichloride Dihyd C15 H20 N4 O4 2+ , 2Cl - , 2H2 O Flack (1983) -0.2 77.1 7 DES C NA1229 1756 P2~1~ -0.01 0.05 L-Cysteine, Monoclinic Form, Redetermina C3 H7 N O2 S Flack (1983) -0.2 20.2 S PA1220 1764 P 61 -0.66 4.55 L-Valyl-L-alanine C8 H16 N2 O3 Flack H D (1983), Ac -0.1 0.4 8 DES AB PA1221 1754 P 21 -0.80 0.70 Redetermination of L-Leucine at 120 K C6 H13 N O2 Flack (1983) paramet -1.1 2.6 DES AB BK1199 1583 P 21 0.03 0.06 [D-Ala^2^,D-Leu^5^]-Enkephalin Hydrochlo C29 H40 N5 O7 + , Cl - , C4 H8 O Flack (1983) 0.5 16.2 7 DE CF1053 1456 P 21 -0.99 1.91 A Lactone Derived from an Amino Acid wit C16 H17 N O4 Flack (1983) paramet -0.5 1.0 8 ADES HA1156 1464 P 21 0.44 1.07 L-Isoleucine, Redetermination at 120 K C6 H13 N O2 0.4 0.5 6 8 DES NS1003 1558 P 21 0.11 0.33 1-O-Benzyl-\b-L-arabinopyranose, C15 H20 O5 Flack H D (1983), Ac 0.3 2.7 8 DES NS1003 1558 P 21 0.04 0.21 1-O-Benzyl-\b-L-arabinopyranose, C22 H24 O6 Flack H D (1983), Ac 0.2 4.6 DES NS1006 1548 P21 0.01 0.04 The Diels--Alder Adduct of an Enantiopur C28 H30 O7 S Flack (1983) 0.2 24.8 ADES AB1311 698 P 21 -0.02 0.41 A Diacetylmorphine Polymorph C21 H23 N1 O5 Flack (1983) paramet 0.0 2.5 8 DE AS1215 660 P 21 0.16 0.75 Ethyl and Butyl 4-[4-(4-n-Octyloxybenzoy C31 H35 N1 O5 Flack (1983) paramet 0.2 1.1 8 DES AS1195 1086 P 21 0.02 0.02 [(R)-1,2-Bis(allyloxycarbonyl)ethyl]bis( [Co(C4 H7 N2 O2)2(C10 H13 O4)(C8 H11 N)] Flack (1983) paramet 1.0 49.0 7 DES CF1044 1252 P 21 -0.09 1.68 A Conformationally Restricted Aspartic A C17 H19 N1 O5 Flack (1983) paramet -0.1 0.6 8 DES M PA1191 1220 C 2 3.11 1.56 \b-Cyclodextrin Z-9-Dodecen-1-ol 2:1 Co C42 H70 O35, 0.5C12 H24 O, 9.6H2 O1, 0.53C2 H6 O1 Flack H D (1983), Ac 2.0 -1.4 DES CF1098 2822 P 21 0.01 0.13 17\b-Isopropylsparteine and 17\b-Isoprop C18 H31 N2 O + , Cl O4 - , H2 O Flack (1983) 0.1 7.6 7 DES FG1198 2905 P 21 0.10 0.13 Methyl 7\a,12\a-Dihydroxy-3\a-methacrylo C29 H47 N O5 Flack (1983) 0.8 6.9 7 DES S JZ1139 2645 P 1 21 1 -0.07 0.05 Triammonium Trimetaphosphimate Monohydra (N H4 )3 (P O2 N H)3 , H2 O Flack (1983) -1.4 21.4 7 DE Z KA1197 2899 P 21 -0.27 0.70 Three Testosterone Derivatives C28 H37 N O3 Flack (1983) paramet -0.4 1.8 8 DES KH1101 2830 P 21 -0.17 0.16 Tetra-n-butylammonium Chloride-Thiourea C16 H36 N + , Cl - , 2C H4 N2 S Flack (1983) paramet -1.1 7.3 7 DES NA1252 2795 P 1 21 1 -0.01 0.03 (-)-(R)-N-[3,4-Dihydro-2H-1-benzopyran-2 C17 H28 N4 O 2+ , 2Br - Flack (1983) -0.3 33.7 ADES PA1230 2929 P 21 0.06 0.15 2,4-Dinitrophenyl Phenyl Sulfone C12 H8 N2 O6 S Flack (1983) 0.4 6.3 7 DES Z FG1202 2399 P 1 0.03 0.01 (cis-1,2-Dichlorovinyl)bis(dimethylglyo [Co (C2 H Cl2) (C4 H7 N2 O2)2 (C5 H5 N)] , C H Cl3 Flack (1983) 2.8 88.1 9 DES FG1205 2489 P 21 0.11 0.09 Bis(tert-butylthiolato-S)germanium-Imide [Ge3 (C4 H9 S)6 (N H3)] Flack (1983) 1.2 9.9 7 DE SB HA1164 2554 P 21 -0.16 0.24 L-Histidyl-L-alanine Dihydrate C9 H14 N4 O3, 2H2 O Flack (1983) -0.7 4.8 DES C KA1155 2473 P 1 21 1 -0.30 1.00 Polymeric Aquabis[(R,R)-tartrato-O^1^,O^ [Mn2 (C4 H2 O6)2 (H2 O)] , 3H2 O Flack (1983) -0.3 1.3 8 DES AB1291 2285 P 1 21 1 0.04 0.43 Methyl 6-O-[(R)-1-Carboxyethyl]-\a-D-ga C10 H18 O8 Flack (1983) 0.1 2.2 8 ADES FG1112 2196 P 21 -0.01 0.02 1-(R)-{2-[1-(R)-(N,N-Dimethylamino)ethyl [Fe2 (C5 H5)2 (C18 H27 N2)][Pt Cl3 (C2 H6 O S)] Flack (1983) -0.5 50.5 ADES FG1118 2173 P 1 0.20 0.01 A Condensed Dialkoxide Complex of Copper [Cu (C6 F12 O3) (C6 H16 N2)] Flack (1983) paramet 15.4 61.5 9 DES S HA1159 2292 P 21 -1.30 1.90 A New Conformationally Restricted Aspart C18 H21 N O5 Flack (1983) -0.7 1.2 8 DES KA1173 2288 P 61 -0.21 0.40 21-Acetoxy-16\a-propionoxy-11\b,17\a-dih C26 H34 O8, H2 O1 Flack (1983) paramet -0.5 3.0 DES MU1256 2243 P 31 0.20 0.13 Tris(4-chlorophenyl)phosphine and Tris(4 C18 H12 F3 P Flack (1983) 1.5 6.2 7 DES S PA1218 2277 P 1 -1.31 2.41 \b-Cyclodextrin Nonanoic Acid 1:1 Compl 2C42 H70 O35 , 1.6C9 H18 O2 , 23.9H2 O Flack (1983) -0.5 1.0 8 DES SK1006 2309 P 21 0.33 0.03 Diisopropylammonium Bromide C6 H16 N 1+, Br 1- Flack (1983) 11.0 22.3 9 DES C SX1004 383 P 1 -0.30 3.26 Cyclo(L-alanyl-L-seryl).H~2~O and Cyclo( C6 H10 N2 O3 , H2 O Flack H D (1983) -0.1 0.4 DES SX1004 383 P 1 21 1 0.28 1.22 Cyclo(L-alanyl-L-seryl).H~2~O and Cyclo( C5 H8 N2 O3 Flack H D (1983), 0.2 0.6 DES BK1126 561 P 61 -0.04 0.04 Two 2,5-Dihydroxy-1,4-benzoquinonate-O,O [Ni (C6 H2 O4) (C12 H12 N2)2] , H2 O Flack (1983) -1.0 26.0 Z SK1001 1616 P 63 0.93 0.00 A Diphenylamido-Bromide Complex of Niobi [Nb Br2 (C12 H10 N)3] , C4 H8 O DE R NA1217 2629 P 1 21 1 1.10 0.30 (S)-(+)-Homoterpenyl Methyl Ketone C10 H16 O3 The absolute config ADE RM NA1211 1407 C 2 0.00 0.00 Dichloro(di-2-pyridylamine-N,N')copper(I [Cu1 Cl2 (C10 H9 N3)] Flack H D (1983), 2 DES AB BK1162 1042 P 1 21 1 Tarapacol 15-Acetate, a New Diterpenoid C22 H38 O4 assigned to agree DE CR1135 944 P 1 21 1 1-Iodo-2-methoxy-7-naphthyl Acetate C13 H11 I O3 DE HIZ FG1051 840 P 1 21 1 [Fe~2~(CO)~4~(PMe~3~)~4~(\m-H)(\m-SiCl [Fe2 H (Si Cl2) (C O)4 (C3 H9 P)4] [Fe (Si Cl3) (C DE HIZ FG1126 901 P 1 Absolute Configuration of D-Brompheniram C16 H20 Br N2 1+,C4 H3 O4 1- ADE HIZ KA1146 988 P 21 (2R,3R)-3-Ammonio-1-(1-methoxycarbonyl-2 C9 H14 N2 O6 S, H2 O DE A KH1060 779 P 1 21 1 Two Different Crystal Forms of cis-Diamm [Pt1 (N H3)2 (C3 H4 N2)2](N1 O3)2, C3 H4 N2 DE H No R values given. MU1207 949 P 21 N,N-Bis(2-hydroxybenzyl)-N-(2-pyridylmet C20 H20 N2 O2 Absolute structure: DE PT1033 957 P 1 4-Methylbenzylammonium 4-Methylbenzylcar C8 H12 N 1+, C9 H10 N O2 1- DES AB1338 2087 P 1 Glycyl-L-Leucyl-L-Tyrosine Dihydrate 2-P C17 H25 N3 O5 , C3 H8 O , 2H2 O DE A AB1342 1948 P 21 Sodium Hydrogen L-Tartrate Na 1+, C4 H5 O6 1- DE A BK1190 1894 P 21 Aqua(L-O-serine phosphato)calcium(II) [Ca (C3 H6 N1 O6 P1) (H2 O1)] DE AB CR1202 2006 P 1 21 1 1-(4-Amino-6-methyl[1,3]oxazolo[5,4-d]py C18 H18 N4 O6 , 2H2 O DE FG1167 2113 P 21 Naphtho[2,3-b]cholestane C35 H50 abs. structure not ADE KA1137 2037 P 1 17\a-Benzyl-17\b-hydroxy-16-hydroxyimino C26 H31 N O3 DE A KA1168 2024 P 1 21 1 Rhoiptelenyl Acetate, a New Pentacyclic C32 H52 O2 DE KA1204 1995 P 1 \b-Zearalenol Sesquihydrate C18 H24 O5, 1.5H2 O DES AB KH1072 1946 P 21 (Acetato-O)(meso-5,5,7,12,12,14-hexameth [Zn (C2 H3 O2) (C16 H36 N4)] Cl O4, H2 O1 DE AB PT1020 2084 P 21 Two 14-Membered Macrocycles with trans-t C23 H30 O8 DES AB AB1389 3225 P 1 21 1 Trinitrophloroglucinol C6 H3 N3 O9 DE A BK1257 3188 P 1 Mannose Phenylhydrazone, An Acyclic Mono C12 H18 N2 O5 DE A BM1097 3102 P 1 21 1 A Corticosteroid Ester C23 H29 F O5 DE A CF1084 3157 C2 An 18-Chloro-4\a-hydroxy Derivative of 1 C24 H29 Cl O9 Flack (1983) paramet ADES Z CF1124 3197 P 21 -1.00 3.00 Chiral Hydroxylamines III. C22 H29 N O6 -0.3 0.7 ADES M NA1228 3252 P 1 Crystalline Complexes Involving Amino Ac C6 H15 N4 O2 +,C4 H1 O4 - DE OA1006 3216 P 65 Glycoric Acid, a New Degraded Carotenoid C12 H20 O4 DE SK1024 3173 P 21 2',3'-Dideoxy-3'-nitrothymidine and 2'-P C10 H13 N3 O6 DES SK1024 3173 C2 2',3'-Dideoxy-3'-nitrothymidine and 2'-P C13 H19 N3 O7 DES AB1224 458 P 1 21 1 trans-(3aR)-1,2,3,3a-Tetrahydro-3a-(meth C17 H18 N4 O3 DE AS1187 338 P 1 21 1 Tetrasodium P^1^,P^4^-Bis(5'-adenosyl)te 4Na + , C20 H24 N10 O19 P4 - , 12 H2 O DE AB PA1193 441 P21 A Chiral Mesogenic Compound C37 H44 O5 DE A BK1143 235 P 21 5-O-Acetylcuauthemone 6-O-2',3'-Epoxy-2' C22 H32 O6 DE AB KA1119 199 P 1 21 1 (S)-3-(1,1-Dimethyloxycarbonylamino)-1- C17 H22 N2 O5 DE PA1165 201 P 1 21 1 N-Benzyl-3,4-diphenyl-2-azetidinone C22 H19 N O DE PA1177 113 P 1 Molecular, Crystal Structure and Fluores C32 H44 N2 O4, 2H Cl O4,C7 H8 DE AB PA1188 207 P 1 21 1 Two cis Ring-Fused exo N-Aryl Heterocycl C22 H22 F3 N O DE BR1128 1601 R 3 A New Form of Lithium Zinc Phosphate wit Li Zn P O4 DE BC CF1008 1681 P 1 21 1 p-Arsanilic Acid, a Redetermination C6 H8 As N O3 DE HIZ CR1179 1691 P 21 p-Nitrobenzaldehyde C7 H5 N O3 DE AB DU1147 1593 P 1 21 1 LiMoP~2~O~7~ Li Mo P2 O7 DE AB NA1224 1820 P 1 21 1 N-Acetyl-L-phenylalanyl-L-alaninamide C14 H19 N3 O3 DE AB PT1022 1624 P1 Conformation and Packing of Cobalt(III) [Co (C12 H30 N8)](H2 P3 O10) , 6H2 O DE HC (No details of H) SX1012 1797 P 41 3-Deoxy-3-C-ethoxycarbonylmethyl- C16 H26 O7 sssigned to agree ADE AC "Known Chirality" TA1058 1804 P 21 (3aR,3bS,4aR,4bR,5aR,5bS)-4,4,8,8-Tetrab C12 H11 Br4 N O2 DE AB CF1032 1586 P 21 p-Nitrophenyl \a-D-Mannopyranoside Hemih 2C12 H15 N1 O8, H2 O1 ADE HA1155 1516 P 1 21 1 Four \w-Phthalimidoaliphatic Peracids C13 H13 N1 O5 DES KH1087 1550 P 1 21 1 (14\a,22E)-14-Hydroxyergosta-4,7,22-trie C28 H40 O3 DE PT1032 1471 P 1 21 1 Piperazinium L-Tartrate C4 H12 N2 2+ , C4 H4 O6 2- DES PT1040 1390 P 1 21 1 trans(S)-(S-Methyl-D-penicillaminato)(D- [Co (C5 H9 N O4 S) (C6 H12 N O2 S)] , H2 O ADE HI TA1068 1394 C 2 The Pseudo-Racemic Complex Bis[tris(2,2' [Ru (C10 H8 N2)3]2 [Co(C N)6] Cl , 8H2 O DE C AS1202 681 P 21 A Cyclic Hexa-Pseudopeptide Constructed C44 H46 N6 O6, 2H2 O DE BK1157 693 P 1 21 1 2'-Deoxycytidine-N3-cyanoborane Monohyd C10 H15 B N4 O4 , H2 O DE HA1149 696 P 21 L-Histidine Methyl Ester Dihydrochloride C7 H13 N3 O2 2+, 2Cl 1- see experimental DE HU1142 713 P 21 7-(2'-Deoxy-\a-D-ribofuranosyl)hypoxanth C10 H12 N4 O4 DE JZ1072 743 P 1 21 1 3^1^,3^2^-Didehydrorhodochlorin-15-aceti C37 H42 N4 O6 DES AB1260 1193 C 1 2 1 Effects of Cation Interactions on Sugar Ca 2+ , 2C6 H11 O7 1- , 5H2 O DE BK1193 1263 P 1 The Guaianolide 11\bH,13-Dihydromichelio C15 H22 O3 DE FG1140 1215 P 1 21 1 First Example of a Crystalline Urazole N C7 H11 N3 O5 DE TA1061 1266 P 1 21 1 A Kryptoracemic Hydroperoxide C16 H19 N1 O2 Si1 DE HIC Kryptoracemic KH1097 2836 P2~1~ 5,5,8,8-Tetrafluoro-6-methoxy-5,8-dihydr C10 H7 F4 N1 O1 A PA1216 2932 C 2 Inclusion of the Main Pheromone Compone C42 H70 O35 , C9 H16 O2 , 9H2 O DE A AB1372 2601 P 1 21 1 Four Diterpene Isonitriles from the Spon C21 H31 N ADE BK1233 2500 C 2 3\a,7\a,12\a-Trihydroxy-5\b-cholan-24-oi C25 H42 O5 , C2 H6 O1 known fragment DE A BK1236 2495 P 21 Sodium Cholate Methanolate and Sodium Ch Na + , C24 H39 O5 - , C3 H8 O1 known fragment DES AB PA1232 2502 P 21 2\a,3\a:7\b,8\b-Di\'epoxy-trans-himachal C15 H24 O2 DE A PA1235 2504 P 21 2\a,3\a:6\a,7\a-Di\'epoxyhimachalane C15 H24 O2 DE PA1236 2599 P 21 2,4,6-Triphenyl-4H-pyran-3,5-dicarboxald C25 H18 O3 DE BR1087 2123 P 21 La~3~(Si~2~O~7~)Cl~3~ La3 (Si2 O7) Cl3 DE AB HU1052 2204 P 1 21 1 Aqua[bis(salicylidene)ethylenediaminat [Co(C4H9)(C16H14N2O2)(H2O)] DE AB SK1003 2340 P 21 Packing of Four Independent Molecules: C21 H18 N2 O2 DES VJ1017 92 C 1 2 1 Tricoccin R2 C25 H26 O7 DE AB KA1152 1014 C c 1.38 1.80 Two Schiff Base Ligands Derived from 1 C20 H22 N2 O2 Flack (1983) 0.8 -0.2 8 D S KA1195 2063 C c 0.23 0.05 Two N-Aryl-Substituted Silyl Carbamates C14 H23 N1 O2 Si1 Flack (1983) paramet 4.6 15.4 9 D S BM1045 1180 R 3 c 0.05 0.09 Tetramethylammonium Tris(thiobenzoato-O, (C4 H12 N1) [Sn1 (C7 H5 O1 S1)3] Flack (1983) paramet 0.6 10.6 D S JZ1135 2647 C 1 c 1 0.41 0.02 Refinement of the Superstructure of C-Ty Cr(PO~3~)~3~ (Flack, 1983) 20.5 29.5 9 D S OA1004 2922 C 1 c 1 0.26 0.30 4-Octyloxybiphenyl-4'-yl 4-Methoxybenz C28 H32 O4 Flack (1983) 0.9 2.5 8 D S S DU1122 1033 P m n 21 0.19 0.04 An MPP^+^ Analog: N-Cyclopentyl-4-phenyl 2C16 H18 N 1+, C11 H10 N1 1+ , Br1 3- , H2 O1 Flack (1983) 4.8 20.2 9 D S SB AB1398 3020 P n a 21 -0.11 0.08 8-[1,2-Bis(diphenylphosphino)ethane]-9,1 [Rh (B9 H10 S) (C26 H24 P2)]2 , C H Cl2 Flack (1983) -1.4 13.9 D MU1276 3256 P c a 21 0.14 0.09 5-Chloro-2-[(2-hydroxybenzylidene)aminom C14 H12 Cl N O2 Flack (1983) 1.6 9.6 D S BS MU1278 2980 P n a 21 -0.02 0.02 mer-Trichloro[2-(phenylamido)pyridine]ox [W1 Cl3 (O) (C11 H9 N2)] Flack (1983) paramet -1.0 51.0 D S SK1054 3037 P n a 21 0.12 0.06 Trichloro[\h^5^-(trimethylstannyl)cycl [Ti Cl3 (C8 H13 Sn)] Flack (1983) 2.0 14.7 9 D S S BM1028 127 P n a 21 0.14 0.19 3-Cyano-6-(3-methoxyphenyl)-4-methylthio C14 H11 N O3 S Flack (1983) paramet 0.7 4.5 D S TA1035 101 P c a 21 -1.60 2.10 3,4-Dihydro-3-methyl-6-nitro-2H-1,3-benz C9 H10 N2 O4 Flack (1983) -0.8 1.2 8 D S AB1292 1636 P n a 21 0.00 0.01 trans-Chloromethylbis(tri-p-tolylarsine) [Pt Cl (C H3) (C21 H21 As)2] Flack (1983) -0.4100.4 D S CF1049 1305 P 21 c n 0.70 1.90 Multiple Hydrogen-Bonding Modes in Furan C6 H8 O3 Flack (1983) paramet 0.4 0.2 8 D S CF1049 1305 F 2 d d 1.00 1.40 Multiple Hydrogen-Bonding Modes in Furan C30 H24 O3 Flack (1983) paramet 0.7 0.0 8 D S KA1144 1311 P n a 21 0.15 0.17 cis-Perhydro-1,3-dimethyl-4,5-(epoxyetha C9 H12 N4 O5 Flack (1983) paramet 0.9 5.0 D S SB MU1225 1285 P c a 21 0.22 0.15 N-Phenyl-4-morpholinecarbothioamide and C11 H14 N2 O S Flack (1983) 1.5 5.2 D S BS BM1083 2917 P c a 21 0.30 1.44 Two Polymorphic Forms of 3-Hydroxy-2-met C6 H6 O3 Flack (1983) 0.2 0.5 D S HA1166 2885 F 2 d d -0.06 0.48 2-Butyne-1,4-diol C4 H6 O2 Flack (1983) -0.1 2.2 8 D S AB1406 2528 A b a 2 -0.05 0.18 Interpenetrating Square Nets in the Hydr C12 H10 O4 S Flack (1983) paramet -0.3 5.8 D S FG1190 2477 P n a 21 -0.05 0.03 Chlorotris(p-methylsulphonylphenyl)tin( [Sn Cl (C7 H7 S O2)3] Flack (1983) -1.7 35.0 D S FG1171 2372 P c a 2~1~ 1.00 2.00 2-Carboxy- and 2,7-Dicarboxy-4,5-benzot C12 H8 O3 Flack (1983) 0.5 0.0 8 KA1184 2263 P c a 21 0.06 0.03 Triphenylpropargylphosphonium Bromide C21 H18 P +, Br - Flack (1983) 2.0 31.3 9 D S PA1227 2290 P n a 21 0.33 0.11 (R~s~)-4-p-Toluenesulfinylcyclohexa-1 C16 H18 O3 S Flack (1983) 3.0 6.1 89 D S CS CF1075 3030 C c -0.02 0.03 Tris(N,N-diethyldithiocarbamato-S,S')nic [Ni (C5 H10 N1 S2)3] (C8 N5) Flack (1983) -0.7 34.0 D S TA1071 1493 P n 0.01 0.02 Bis(p-nitrobenzoate) Ester of cis-1,1-Di C21 H22 N2 O8 Si1 Flack (1983) paramet 0.5 49.5 S KA1129 405 P n a 21 -0.16 0.32 7\b-Hydroxy-7\a-(3-propargyl)-3-methyl C15 H20 O2 -0.5 3.6 D S M MU1219 799 C c 0.03 0.00 [Pt(PMe~3~)~2~(dppm)]Cl~2~.2H~2~O [dppm [Pt1 (C3 H9 P)2 (C25 H22 P2)]Cl2 , 2H2 O 9.3324.0 6 D AB1332 1384 F d d 2 indetermina 1,4-Bis(4'-[2.2.2]paracyclophanyl)buta- C52 H46 not determined D S BK1041 966 P c a 21 Energetic Materials: the Big C2 H9 N5 2+, 2N O3 1- DE1010 910 P c a 21 An Unusual C(sp^2^)---H...Cl Interaction C6 H9 N2 S +, Cl -, H2 O D HIC DE1020 795 C c The Polymeric Cluster Complex {[(CH~3~CH (C6 H16 N) [W Ag S4] , C3 H7 N O D HC HU1075 919 C 1 c 1 Structures of Four p-Amidoperbenzoic C9 H9 N1 O4 D S HU1075 919 C c Structures of Four p-Amidoperbenzoic C10 H11 N O4 D S AB1368 1989 F d d 2 The Product of Catalysed Diboration of C28 H38 B2 O6 D FG1210 1957 P n a 21 (Acetonitrile)[N,N-bis(3-aminopropyl)-1, [Cu (C2 H3 N) (C9 H24 N4)](Cl O4 )2 parallel refinement D BM1096 3163 P c a 21 5-(2-Naphthyl)thio-1-phenyltetrazole: Ch C17 H12 N4 S not determined D B DU1159 3108 P n a 21 6-Bromo-2H-3,1-Benzoxazine-2,4(1H)-dione C8 H4 Br N O3 Flack (1983) paramet D FR1001 3075 I 41 c d \g-Aminobutyric Acid: A Novel Tetragonal C4 H9 N1 O2 D A BM1018 340 C m c 21 Trimethylammonium Trichlorostannate(II) [N H (C H3)3][Sn Cl3] D HI CR1196 438 P c a 21 N-(4-Bromophenyl)-5,6-dichloronicotinami C12 H7 Br Cl2 N2 O1 D S AB AS1156 231 P n a 21 Molecular Co-Crystals of Carboxylic Acid C2 H5 N4 1+ , C7 H3 N2 O7 1- D S BM1032 259 I m a 2 Phenyl 2-(Trimethylsilylethynyl)phenyl K C12 H14 O1 Si1 HI CF1020 174 P n a 21 Low-Temperature Triphenylmethane C19 H16 D S BK1147 1701 C 1 m 1 4-Methylpyridinium Hydrogen Sulfide C6 H8 N + , H S - D AB PT1030 1729 P n a 21 A New Cyclophane C42 H36 O2 S2 , 3H2 O1 D AB BM1049 1576 P c a 21 3-(1-Naphthyloxy)-1,2-benzisothiazole 1, C17 H11 N O3 S not established D HIB FG1105 1565 P n a 21 Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl) C19 H22 N2 O6 D S FG1049 555 P c a 21 1,4,10,13-Tetrathia-7,16-diazacyclooctad [Ni (C12 H26 N2 S4)] (N1 O3)2, H2 O1 D AB FG1096 647 P n a 21 1,8-Dichloroanthracene C14 H8 Cl2 D HI NA1206 1277 P c a 21 Pyrrolo-Annellated Carbazoles as Potenti C21 H14 N2 O3, CH4 O Flack H D (1983), Ac D PA1212 1232 I a Structure-Based Rationalization of the C14 H19 N3 O4 , 2H2 O D DU1160 2668 P 4 b m (NH~4~)~2~(VO)(VP)O~7~ , a Layered Struc (N H4)2 (V O) (V P) O7 none D AB JZ1118 2254 P m n 21 A Fully Cyclo-Substituted Cyclohexane C18 H24 O3 D A FG1134 1486 P n a 21 Xanthene-9-carboxylic Acid C14 H10 O3 D CR1172 729 C 1 c 1 7-Methyl-6-phenylimidazo[2,1-b]thiazoliu C12 H11 N2 S1 1+, I 1- D AB KA1118 648 C c n-Butyl(carboxymethyl)dimethylammonium B C6 H14 N1 O2 1+, Br 1- D HC No R values quoted SK1044 3185 I-4 -0.20 0.20 Tetraphenylphosphonium Perchlorate C24 H20 P + , Cl O4 - Flack (1983) -1.0 6.0 BR1114 14 F -4 3 m 0.56 0.19 Tetramethylammonium Lithium Zinc Cyanide (C4 H12 N) [Li Zn (C N)4] Flack (1983) 2.9 2.3 8 V SK1018 2674 P -4 21 m -0.14 0.10 Tetraethylammonium Tetramethylammonium T (C8 H20 N) (C4 H12 N) [Cu Cl4] Flack (1983) -1.4 11.4 S SK1031 2482 I -4 2 d 0.38 0.07 Tetrakis(1-methylimidazole-N^3^)zinc(II) [Zn (C4 H6 N2)4] (Cl O4)2 Flack (1983) 5.4 8.9 S S BR1120 286 P -4 21 c Tin(II) Oxyhydroxide by X-ray Powder Di Sn6 O4 (OH)4 0 P -6 c 2 Dy1 Ta7 O19 OH1089 1065 F -4 3 m Re~4~S~4~Te~4~ Re4 S4 Te4 HIC HA1142 2617 I -4 Benzamidine C7 H8 N2 HR1034 51 P 21/c 0.00 0.00 Di-\m-sulfato-O:O'-bis[(2-aminopyrimidin [Co (S O4) (C4 H5 N3) (H2 O)3]2, 2H2 O none 1 A Y HR1034 51 P -1 0.00 0.00 Di-\m-sulfato-O:O'-bis[(2-aminopyrimidin [Ni (S O4) (C4 H5 N3)2 (H2 O)2], C4 H5 N3 none 1 A Y HR1034 51 P 21/m 0.00 0.00 Di-\m-sulfato-O:O'-bis[(2-aminopyrimidin [Cu (S O4) (C4 H5 N3)2 (H2 O)], 2H2 O1 none 1 A Y DU1128 284 C 1 2/m 1 0.00 0.00 K~2~Mn~3~(OH)~2~(VO~4~)~2~: a New Two-Di K2 Mn3 (O1 H)2 (V1 O4)2 1 6 DU1131 283 P 1 21/n 1 0.00 0.00 K~2~Mn(VO~3~)~4~, a New Three-Dimensiona K2 Mn(V O3)4 1 DU1157 2964 P -1 0.00 0.00 Triclinic Fe~3~Al~2~Si~3~ and Orthorhom Fe3 Al2 Si3 none 1 DU1157 2964 C m c m 0.00 0.00 Triclinic Fe~3~Al~2~Si~3~ and Orthorhom Fe3 Al2 Si4 none 1 NS1004 960 P -1 0.00 0.00 2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10, C18 H30 N6, 6H2 O1 none 1 BK1173 832 P 1 21/n 1 \m-Oxo-bis[(5,10,15,20-tetraphenylporphy [Mo2 O3 (C44 H28 N4)2] , 1.5H2 O, 0.5C H2 Cl2 S BK1177 852 P 1 21/n 1 1-Carbonyl-2,2-cis-dicarbonyl-\m-formato [Re2 (C O2) (N O) (C10 H15) (C18 H15 P)2 (C O)3] BK1178 1012 P 21/c 1-Cyanomethyl-6,7,8-trioxabicyclo[3.2.1 C7 H9 N O3 BK1184 865 P b c n Diaquabis(4-amino-3-methyl-4,5-dihydro-1 [Ni (C3 H6 N4 S)2 (H2 O)2] (N O3)2 none BK1185 907 P 21/c Fluorene-1-carboxylic Acid C14 H10 O2 BK1187 861 P 1 21/n 1 fac-Tricarbonyldichloro(tetrahydrofuran [Ru Cl2 (C O)3 (C4 H8 O)] BK1188 995 P 1 21/c 1 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonan C14 H19 N O S BK1189 940 P 21/n 3-Amino-4-hydroxybenzenesulfonic Acid He C6 H7 N O4 S, 0.5H2 O BM1039 929 P 21/n 2-(2-Amino-5-bromobenzoyl)pyridine C12 H9 Br N2 O S BM1040 882 P -1 Diethylgallium Diphenylphosphinate [Ga2 (C2 H5)4 (C12 H10 O2 P1)2] S BR1118 753 P 63/m Triaquahexathiocyanatobismuthlanthanum [Bi (S C N )6 La (H2 O )3 ] , 2H2 O S BR1118 753 P 63/m Triaquahexathiocyanatobismuthlanthanum [Bi (S C N )6 Nd (H2 O )3 ] , 2H2 O S CF1034 1040 P 1 21/n 1 2-Amino-4-nitrobenzothiazole C7 H5 N3 O2 S CF1041 980 P b c a 1,4-Dibromo-1,4-disilabutane C2 H8 Br2 Si2 S CF1042 770 C 2/c 2-Ferrocenyl-3-phenylquinoxaline [Fe (C5 H5) (C19 H13 N2) ] S CF1047 775 P -1 Racemic Bis(1-ferrocenylpropyl) Ether [Fe2 (C5 H5)2 (C16 H20 O)] S CF1051 955 P 1 21/n 1 2-(2-Pyridyl)pyridinium Triiodide C10 H9 N2 +, I3 - CR1182 998 P -1 2-Aminoperimidinium Bromide Dihydrate C11 H10 N3 1+, Br 1-, 2H2 O S DE1005 1029 P b c a (1RS,4aSR,12aSR)-1-Methyl-1,2,3,4,4a,5,6 C18 H22 O2 DE1012 810 P 21/c Diaqua(2-ethylphenylaminodiacetato-N,O,O [Zn1 (C12 H13 N1 O4) (H2 O1)2] DE1013 786 P -1 Dimeric Aqua(3,5-dinitrobenzoato)(trieth [Ca1 (C7 H3 N2 O6)(C6 H14 O4)(H2 O1)](C7 H3 N2 O6) DU1133 1006 P 1 21/n 1 5-Cyclohexylamino-2-phenyl-4-thiazoleca C16 H17 N3 S S FG1062 889 C2/c Triphenylstibine Dihydroxide [Sb (O H)2 (C6 H5)3] FG1078 801 P -1 A Manganese Quinaldinate Complex: trans- [Mn (C10 H6 N O2)2 (H2 O)2] , 2C2 H6 O , 2H2 O FG1080 792 C 2/c {Ca(OH~2~)~3~[Ca(DOTA)].7.7H~2~O}~n~ [Ca2(C16 H24 N4 O8) (H2 O)3] , 7.7H2 O S FG1088 835 P 1 2/c 1 A Trinuclear Cluster of Molybdenum(IV), [Mo3 S4 (C2 H O4)2 (C2 O4) (H2 O)3] , 2C2 H6 O S FG1098 993 P 21 /c cis-1,5-Dimethyl-2,4-dinitro-2,4-diazabi C6 H8 N4 O5 S FG1103 823 P 21/c The Five-Coordinate Cadmium Halide Bis(d (C24 H20 P)[Cd Cl (C5 H10 N S2)2] S FG1103 823 P 21/c The Five-Coordinate Cadmium Halide Bis(d (C24 H20 P)[Cd Br (C5 H10 N S2)2] S FG1121 804 P b c a Dimeric Iodo[1,1-di(2-pyridyl)-3-butenol [Cu2 (C14 H13 N2 O1)2 I2], 2C1 H3 C1 N1 S FG1127 984 C 1 2/c 1 A Photochromic Zwitterionic Viologen: C14 H16 N2 O6 S2, H2 O1 FG1128 904 P 21/n Clemizole Hydrochloride C19 H21 Cl N3 1+, Cl 1- HA1100 1052 P 1 21/n 1 8-(3-Methylphenoxy)-16H-dinaphtho[2,1-d; C28 H21 O4 P1 HA1101 1054 P -1 2,4-Pentanedione Bis(2,4-dinitrophenylhy C17 H16 N8 O8 HA1102 1056 P 1 21/c 1 1-(2,4-Dinitrophenyl)-3,5-dimethylpyrazo C11 H10 N4 O4 HA1103 1058 C 1 2/c 1 3-Hydroxy-6-methyl-2-pyridylmethyl Isopr C10 H16 N1 O4 P1, 1.5H2 O1 HA1146 1000 P 21/n 1-(4-Nitrophenyl)-4-piperidinol C11 H14 N2 O3 HL1041 879 C 2/c Palladium Complexes of 1,4,7-Trithiacyc [Pd (C7 H14 S3 )2 ]Cl2,7H2 O HR1038 970 P -1 5,6,7,8-Tetrahydro-2,3-diphenyl-2a\l^4^ C19 H18 N4 S1 Se2 HU1020 913 P b c a Structures of Five \w-Phthalimidoaliph C10 H7 N1 O4 HU1020 913 P 1 21/c 1 Structures of Five \w-Phthalimidoaliph C11 H9 N1 O4 HU1020 913 P -1 Structures of Five \w-Phthalimidoaliph C12 H11 N1 O4 HU1020 913 P 1 21/n 1 Structures of Five \w-Phthalimidoaliph C13 H13 N1 O4 HU1020 913 P 1 21/c 1 Structures of Five \w-Phthalimidoaliph C14 H15 N1 O4 HU1075 919 P b c m Structures of Four p-Amidoperbenzoic C11 H13 N1 O4 S HU1075 919 P 1 21/c 1 Structures of Four p-Amidoperbenzoic C12 H15 N1 O4 S HU1134 891 P n m a Low-Temperature Structure of Two Copper- [Cu (C8 H13 O3)2 (H2 O)] S HU1134 891 P 21/c Low-Temperature Structure of Two Copper- [Cu (C11 H19 O2)2] S JZ1073 847 P -1 Low-Temperature Structures of [Ti Cl3 (C5 H10 O2)(C4 H8 O1)] S JZ1073 847 P 21/c Low-Temperature Structures of [Ti Cl3 (C5 H9 O2)(C4 H8 O1)] S JZ1082 820 P -1 cis-Diaquabis(1,10-phenanthroline-N,N')z [Zn(C12 H8 N2)2 (H2 O)2] [Zn(S2 O3)2 (C12 H8 N2)] S JZ1084 747 P -1 Nonasodium Bis(hexahydroxoaluminate) Tri Na9 [Al (O H)6]2 (O H)3 , 6H2 O S JZ1087 749 C 2/c A New Synthetic Fluoride Phosphate of Mi Cs8 Fe15 F10 (P O4 )12 S JZ1090 858 I b c a Tris(4,4'-bipyrimidine)ruthenium(II) Bi [Ru (C8 H6 N4)3] (P F6)2 , C3 H6 O S JZ1091 876 P -1 Bis(triphenylphosphine)iminium Nitrito(p (C36 H30 N P2)[Zn (N O2) (C32 H16 N8)], H2 O1 S JZ1094 936 P 21/c Arene--Arene Stacking in 6,6'-Diphenyl-3 C16 H10 N8 S JZ1094 936 P 21/c Arene--Arene Stacking in 6,6'-Diphenyl-3 C16 H12 N6 O, H2 O S JZ1095 818 I 2/m Verfeinerung von Quecksilberdiiodid-(18 [Hg I2 (C12 H24 O6)] S JZ1098 863 P -1 Tetraphenylphosphonium trans-Aquatetrabr (C24 H20 P) [Os Br4 (C O) (H2 O)] S JZ1108 762 C 2/c Cobalt Silicon Diphosphate, Co~2~Si(P~2~ Co2 Si (P2 O7 )2 S KA1149 884 P 21 /n Iodotris(triphenylphosphine)silver(I), [ [Ag I (C18 H15 P)3] S KA1152 1014 P 21/c Two Schiff Base Ligands Derived from 1 C22 H26 N2 O2 S KA1158 1022 P 21/n Ipriflavone, an Antiostheophorotic Agent C18 H16 O3 S KA1159 873 P 1 21/c 1 Chloro{2-[2-(dimethylamino)ethyliminomet [Sn Cl (C6 H5 )3 (C11 H16 N2 O ) ] , 0.5C6 H6 KH1042 806 P 21/c Diperchlorato[(1RS,4RS,5SR,7RS,8SR,11SR, [Cu (C14 H32 N4) (Cl O4)2] KH1046 887 C 1 2/c 1 Tetrakis(3-methylpyridine)-1\kN,2\kN,3\k [Cu4 (S5)2 (C6 H7 N1)4], 2C6 H7 N1 KH1056 1019 P b c a A Non-Peptide Angiotensin II Receptor An C33 H33 N7 O2 S KH1060 779 P 1 21/n 1 Two Different Crystal Forms of cis-Diamm [Pt1 (N H3)2 (C3 H4 N2)2](N1 O3)2 KH1061 838 P 1 21/c 1 (meso-4,8-Diaza-3,9-dimethyl-6,6-trimeth [Tc1 O1 (C14 H25 N4 O2)] KH1064 783 P m m n Di-(\m-pyrazolato-N:N')-bis[(2,2'-bipyri [Pt2 (C3 H3 N2)2(C10 H8 N2)2] (B1 F4)2, H2 O1 MU1224 797 P 21/n trans-[Mo(CO)~4~{P(OMe)~3~}~2~] [Mo (C3 H9 O3 P1)2 (C1 O1)4] MU1227 845 P n m a Bis(O-cyclohexyl dithiocarbonato)dimethy [Sn (C H3)2 (C7 H11 O S2)2] S MU1228 843 P 21/c (N-Pyrrolidinecarbodithioato-S,S')bis(tr [Ag (C5 H8 N1 S2)(C18 H15 P1)2] S MU1230 986 P 21/n p-Methoxybenzaldehyde Nicotinoylhydrazon C14 H13 N3 O2 ,2H2 O S NA1184 808 C 2/c Dichlorobis(nicotinamide-N^1^-acetate-O) [Zn Cl2 (C8 H8 N2 O3)2] S NA1192 829 P 1 21/n 1 Poly[trans-bis{trimethyltin(IV)}-\m- [Sn2 (C12 H6 N2 O4) (C1 H3)6] NA1193 827 P -1 (Dimethyl sulfoxide-S)methyl(1,10-phenan [Pt1 (C1 H3)(C2 H6 O1 S1)(C12 H8 N2)] P1 F6 NA1196 850 P 1 21/n 1 [Bis(diphenylphosphino)amine-P,P']bromot [Re Br (C O)3 (C24 H21 N P2)] NA1201 789 P -1 Bis(triethanolamine)calcium 3,5-Dinitro [Ca (C6 H15 N O3)2] (C7 H3 N2 O6)2 NA1203 899 P -1 7-Amino-3-phenylcoumarin C15 H11 N O2 OH1094 760 P n n a Ba~3~Ga~2~N~4~ Ba3 Ga2 N4 S PA1189 812 P n m a Trimethyloxosulfonium Salts. IX. Study o C3 H9 Br2.116 Cd Cl0.884 O S PA1189 812 P n m a Trimethyloxosulfonium Salts. IX. Study o C3 H9 Br1.787 Cd Cl1.213 O S PA1189 812 P n m a Trimethyloxosulfonium Salts. IX. Study o C3 H9 Br1.183 Cd Cl1.817 O S PA1189 812 P n m a Trimethyloxosulfonium Salts. IX. Study o C3 H9 Br0.962 Cd Cl2.038 O S PA1189 812 P n m a Trimethyloxosulfonium Salts. IX. Study o C3 H9 Br0.607 Cd Cl2.393 O S PA1189 812 P n m a Trimethyloxosulfonium Salts. IX. Study o C3 H9 Br0.286 Cd Cl2.714 O S PA1196 923 P 1 21/n 1 2-(2-Aminoph\'enylthio)-2-(2-thi\'enyl)\ C17 H15 N O S3 PA1197 925 C 1 2/c 1 2',6'-Dihydroxyflavone and a New Polymor C15 H10 O4 PA1197 925 P 1 21/n 1 2',6'-Dihydroxyflavone and a New Polymor C15 H10 O4 PA1204 1031 P 1 21/c 1 7-Ethoxycarbonylmethyl-5-methyl-1,2,4-tr C10 H12 N4 O2 PT1018 1027 P 1 21/n 1 2,2'-Piperazin-1,4-diyldimethylenebis[6- C36 H40 N4 O2 PT1023 1002 P 1 21/c 1 Identification of the N-Alkylation Produ C10 H12 N3 1+ , B F4 1- TA1055 854 P 21/c Two `Ruthenium-Blue' Precursors: [Ru2 Cl3 (C8 H11 As1)6] C1 F3 S1 O3 TA1055 854 P 21/c Two `Ruthenium-Blue' Precursors: [Ru2 Br3 (C3 H9 As1)6] C1 F3 S1 O3 VJ1030 1017 P -1 8-Hydroxy-7-nitroquinoline-5-sulfonic Ac C9 H6 N2 O6 S, H2 O1 S VJ1032 1036 P 1 21/n 1 4-[(1-Cyclohexenyl)nitromethyl]-2-(3,4-m C23 H22 N2 O7 S VJ1034 1010 C 2/c 3-Cyano-1-[4-(1,3-dithian-2-yl)butyl]-1, C14 H22 N2 S2 AB1328 1881 P 21/c {4-Methyl-2-[(2-oxidobenzylidene)amino]p [Ni (C14 H11 N1 O2) (C5 H11 N1)] AB1340 2022 P 21/n Bromobis(diethyldithiocarbamato)(4-meth C17 H27 Br N2 O S4 Te S AB1349 1921 P 21/n cis-Dibromobis(dimethyl sulfoxide-S)plat [Pt Br2 (C2 H6 O1 S1)2] AB1349 1921 P -1 cis-Dibromobis(dimethyl sulfoxide-S)plat [Pt I2 (C2 H6 O1 S1)2] AB1355 1971 P21/n A Five-Coordinate Bis(p-bromophenylsalic [Fe Cl (C13 H9 Br N O)2] S AB1356 1961 P -1 N,N'-Bis[trans-2-phenyl-5-(triphenylstan [Sn2 (C6 H5)6 (C26 H30 N2 O8)] S AB1357 2093 P b c a Ethyl 3-(2-Cyano-3-phenylazo-2-butenylid C14 H15 N5 O2 S AB1360 2009 P -1 Host--Guest Complexes of Furan-2,5-diylb C30 H24 O3, 0.5C3 H7 N O S AB1360 2009 P -1 Host--Guest Complexes of Furan-2,5-diylb C30 H24 O3, 0.5C2 H6 O S S AB1360 2009 P -1 Host--Guest Complexes of Furan-2,5-diylb C30 H24 O3, 0.5C5 H5 N S AB1363 2035 P n m a 6-Acetamido-4-methoxy-2-methylthiopyrimi C8 H11 N3 O2 S S AB1366 2000 P -1 5,17-Diethoxycarbonyl-25,26,27,28-tetrah C34 H32 O8 S AB1370 1911 P 1 21/n 1 (Diethyl ether-O)[N-(2,6-diisopropylphen [Li (C15 H26 N Si)(C4 H10 O)(C5 H5 N)] AB1377 1889 P 21/n Tetrabenzylgermanium [Ge (C7 H7)4] S AB1380 2102 P21/n 2-Ethyl-3-(3-pyridyl)-5(2H)-isoxazolone C10 H10 N2 O2 S AB1383 1991 P 21/c The Products of Catalysed Diboration o C28 H22 B2 O4 AB1383 1991 P 21/c The Products of Catalysed Diboration o C21 H13 B2 N O4 BK1124 2069 P 1 21/c 1 Formylation versus Alkylation of Seconda C21 H17 N3 O5 BK1213 1877 P 21/c Di-\m-chloro-bis{chloro[2-(N-propylamin [Cu2 Cl4 (C9 H14 N2)2] BK1214 1939 P 21/n Bis(\m-thiosulfato)-1\kO,1:2\k^2^S;2\kO, [Cd2 (S2 O3)2 (C14 H12 N2)2] S BK1220 1896 P 21/c Two Calcium Salts of o-Tolidine-6,6'-dis [Ca (C14 H14 N2 O6 S2) (H2 O)4] BK1220 1896 P -1 Two Calcium Salts of o-Tolidine-6,6'-dis [Ca (C14 H15 N2 O6 S2) (H2 O)6](C14 H15 N2 O6 S2), BM1044 2076 P 1 21/n 1 9-Benzyl-7-[(E)-2-butenyl]-2,3-dihydro-6 C21 H23 N5 O3 BM1047 2027 I 41/a 2-Acetylpyridinium 4N-Phenylthiosemicarb C14 H15 N4 S + , Cl - , 1.25H2 O BM1064 1884 P 1 21/n 1 (Pyrrolidine-N)[1-(2-thiophenyliminometh [Ni (C17 H11 N1 O1 S1) (C4 H9 N1)] BM1069 2106 P b c a Orthorhombic and Triclinic Forms of C27 H24 Cl N5 O2 S BM1069 2106 P -1 Orthorhombic and Triclinic Forms of C27 H24 Cl N5 O2 S BM1069 2106 P -1 Orthorhombic and Triclinic Forms of C26 H21 Cl2 N5 O2 S BM1079 1942 P 21/n trans-Di-\m-chloro-bis[chloro(trimethylp [Pt2 Cl4 (C3 H9 P1)2] S BR1124 1867 P 21/m Lithium Dicobalt Tripolyphosphate and Li Li Co2 P3 O10 BR1124 1867 P 21/m Lithium Dicobalt Tripolyphosphate and Li Li Ni2 P3 O10 BR1135 1872 P -1 Triperchloratoytterbium(III) Monohydrate Yb (Cl O4)3 , H2 O BR1138 1857 P 1 21/n 1 Ammonium Uranyl Hydrogenselenite Selenit (N H4)[U O2 (H Se O3) (Se O3)] CF1014 1983 P -1 A Tetralin Derivative C18 H18 O2 CF1072 2051 P 1 21/n 1 A cis,trans,cis,cis-[4.5.5.5]Fenestrane C18 H30 O2 Si1 S CF1097 2097 P -1 Unusual Hetarynic Condensation of 3-Brom C21 H28 N2 O3 S CR1164 2078 P -1 3-Acetyl-6-bromocoumarin C11 H7 Br1 O3 CR1187 2045 P 21/n 2-Acetylphenyl 1-Naphthoate C19 H14 O3 CR1206 1924 P 1 21/c 1 Three Metal (1,4,8,11-Tetraazacyclotetra [Cu Br2 (C10 H24 N4)] CR1206 1924 P 1 21/c 1 Three Metal (1,4,8,11-Tetraazacyclotetra [Mn0.66 Ni0.34 Cl2 (C10 H24 N4)] , 6H2 O CR1206 1924 P 1 21/n 1 Three Metal (1,4,8,11-Tetraazacyclotetra [Co0.5 Mn0.5 Cl2 (C10 H24 N4)] 0.5Cl , 5.5H2O DU1150 1862 P 1 21/c 1 Sr~4~Ga~3~Mo~26~O~48~ Containing Mo~7~ C Sr4 Ga3 Mo26 O48 FG1046 1909 P -1 [2,2'-(1,3'-Bicyclohexenyl)]bis(tripheny [Pt (C12 H16) (C18 H15 P)2] , 0.85C4 H8 O S FG1159 2081 P b c n 5,5-Diethyl-1-methyl-1H,2H,3H,5H-pyrimid C21 H22 N2 O2 FG1177 1879 P 21/c Bis[di(2-aminoethyl)amine-N,N',N'']nicke [Ni (C4 H13 N3)2] Cl2 , H2 O S FG1186 1919 P -1 trans-2,2,4,4-Tetrafluoro-1,3-diphenyl- [Cr2 (C O)10 (C14 H10 F4 P2)] S FG1206 2014 P 21/c 1-[3,5-Bis(trifluoromethyl)phenyl]-8-(4 C25 H16 F6 O S FG1208 2017 P 21/n Methyl {4-[8-(4-Trifluoromethylphenyl)n C24 H17 F3 Se S HU1091 1931 P 21/a Bis(\m-diethyldithiocarbamato)-1\kS,1:2\ [Zn (C2 H5) (C5 H10 N1 S2)]2 S JZ1114 2053 P -1 Dicyano(7,7-dimethyl-2,5-di-p-tolyl-3,4- C24 H22 N4 S JZ1114 2053 P -1 Dicyano(7,7-dimethyl-2,5-di-p-tolyl-3,4- C22 H17 N3 O S JZ1121 1859 R -3 m Tetracaesium Ytterbium Heptachloride wit Cs4 Yb Cl7 S JZ1127 1917 C2/c Diiodobis(nicotinamide-N^1^-acetate-O)zi [Zn I2 (C8 H8 N2 O3)2] S KA1171 2002 P 1 21/n 1 Bis(hydrazinium) N,N'-Dinitroethylenedia 2N2 H5 1+, C2 H2 N4 O4 2- S KA1174 2004 P 1 21/c 1 (4,6-Dichloro-1,3,5-triazin-2-ylethynyl) C7 H6 Cl2 N4 S KA1178 2047 P 1 21/c 1 1,3-Bis(2-methylphenyl)-2-(4-morpholino) C19 H23 N3 O1 S1 S KH1062 2057 P 1 21/c 1 A New Energetic Material: an Azidoethyla C2 H7 N4 1+ , C2 H N4 O3 1- KH1066 1875 P -1 Benzophenone Adduct of Tris(cyclopentadi [Dy (C5 H5)3 (C13 H10 O1)] KH1071 1950 P -1 [Co1 (C14 H9 N2 O4)2], H2 O KH1071 1950 P -1 2-Carboxy-9-dihydroxymethyl-1,10-phena [Cu (C14 H9 N2 O4)2], H2 O KH1088 1966 P 21/n [1,1'-Bis(diphenylphosphonato-O)ferrocen [Sn Cl4 (C17 H14 O1 P1)2] S KH1094 2118 P 21/c (1R*,2R*)-2-[(S*)-1-Benzyloxyethyl]-1-cy C20 H22 N4 O5 MU1140 1963 P -1 catena-Poly[bis(O,O'-diethyldithiophosph [Zn (C4 H10 O2 P S2)2 (C10 H8 N2)] MU1248 1976 P 21/n Zinc-meso-tetra-p-tolylporphyrin and its [Zn (C48 H36 N4] S MU1248 1976 C 2/c Zinc-meso-tetra-p-tolylporphyrin and its [Zn (C48 H36 N4] , C7 H7 Cl S MU1251 1954 P -1 Bis(N,N'-dimethylthiourea-S)silver(I) Pe [Ag (C3 H8 N2 S)2] Cl O4 S MU1251 1954 P -1 Bis(N,N'-dimethylthiourea-S)silver(I) Pe [Ag (C3 H8 N2 S)3] Cl O4 S MU1253 1933 P -1 (Thiocyanato-N)tris(triphenylphosphine)s [Ag(N C S)(C18 H15 P)3 ], C H Cl3 S MU1258 1901 P -1 Aqua[bis(3-aminopropyl)amine-N,N',N''](g [Cu1 (C5 H6 O4)(C6 H17 N3)(H2 O1)] , 4H2 O1 S NA1210 1907 C 1 2/c 1 Bis[5,5-dichloro-4,6-dioxo-3,7-diaza-1,9 (C11 H24 Cl2 N4 O2)2 [Cu4 O Cl10] NA1219 1935 P 21/c Molecular Adducts of Inorganic Salts. VI Cd (Re O4)2, 2C H4 N2 S NA1219 1935 P -1 Molecular Adducts of Inorganic Salts. VI Cd (Re O4)2, 2C H4 N2 S NA1221 1973 P 1 21/n 1 anti,mer-[Bis(2-diphenylphosphinoethyl)( [Ru (C8 H5)(C17 H13)(C31 H35 N P2)] , C H Cl3 S NA1234 2115 P -1 6-(3-methylbenzyl)-2-(2-methylpropyl)thi C16 H20 N2 O1 S1 NA1244 2100 C 1 2/c 1 4-(4-Chlorophenyl)-4-hydroxy-N,N-dimethy C29 H33 Cl1 N2 O3, 2.25H2 O S OH1091 1869 P -1 Zigzag Chain Structure of Hexaammonium E (N H4)6 [Mo9 O30] , 5H2 O PA1208 1903 P 1 21/n 1 A New Bimetallic Complex of Ethylenediam Ag [Cu (C10 H13 N2 O8) (H2 O)] , H2 O PA1210 2074 C 2/c 4-Methyl-2-nitroaniline C7 H8 N2 O2 S PA1217 1891 P 1 21/c 1 Chloro[(\a-dimethylamino[3]ferrocenophan [Au Cl (C27 H28 Fe N P)] , 1.5C6 H6 PT1020 2084 P 21/c Two 14-Membered Macrocycles with trans-t C23 H30 O8 S SK1022 1914 P 21/c Thione Compounds of Copper and Silver: [Cu(C6 H7 N S)4 ] B F4 S SK1022 1914 P 21/c Thione Compounds of Copper and Silver: [Ag(C6 H7 N S)4] B F4 S SZ1014 2032 P 1 21/c 1 N-[1-(2-Benzo[b]thienyl)ethyl]-N'-carbam C12 H13 N3 O2 S1 SZ1014 2032 P 1 21/c 1 N-[1-(2-Benzo[b]thienyl)ethyl]-N'-carbam C13 H11 N3 O3 S1, C1 H4 O1 SZ1027 1981 C 1 2/c 1 (1\a,3\a,11\a)-2,2,11-Trimethyl-14-oxate C16 H20 O3 TA1056 2040 P-1 4,4'-Oxybispyridine and 4,4'-Selenobispy C10 H8 N2 Se S TA1064 2061 P 1 21/n 1 Two Methylated Hexacyclic Cage Diketones C16 H14 O2 TA1064 2061 P 1 21/m 1 Two Methylated Hexacyclic Cage Diketones C17 H16 O2 TA1069 1886 P b c a N-Phenyl-2-(triphenylstannylseleno)benza C31 H25 N1 O1 Se1 Sn1 S TA1069 1886 P b c a N-Phenyl-2-(triphenylstannylseleno)benza C14 H13 N1 O1 Se1 S TA1078 2067 P 21/c (+-)-3\a,5\a-Bis(methoxycarbonyl)-3\b-me C16 H18 O6 TA1088 1943 P -1 A Mixed-Valence Tetranuclear Vanadium(IV [V4 O6 (C2 H5 O)6 (C12 H8 N2)2] TA1090 1959 P 21/n Bis(2-hydroxybenzoato-O,O')dimethyltin [Sn (C7 H5 O3)2 (C H3)2] VJ1008 2020 P 21/a Bis(2,4-diaminopyrimidinium) Sulfate M 2C4 H7 N4 + , S O4 2- , H2 O S 0 P 21/c C9 H6 I1 N1 O4 S1 S AB1313 3000 P -1 (E)-1,3-Diferrocenyl-2-buten-1-one--Wate [Fe2 (C5 H5)2 (C14 H12 O)] , 0.25H2 O S AB1378 3243 P -1 2-(2,6-Di-tert-butyl-4-methylphenoxy)-2, C15 H23 Cl7 N4 O P4 AB1384 3133 P 1 21/n 1 Ethyl {[N-(2-Hydroxyethyl)amino](2-hydro C15 H20 N O5 P AB1391 3167 P 21/c Ethylmethylglyoxal Bis(amidinohydrazoniu C7 H18 N8 2+ , 2Cl - , 2H2 O S AB1393 3234 P 1 21/n 1 4,4'-[1,6-Hexanediylbis(oxy)]bisbenzalde C20 H22 O4 AB1399 2977 P -1 Trichlorobis[2,6-di(phenylamino)pyridina [Ta Cl3 (C17 H14 N3)2], C7 H8 S AB1403 3009 P -1 A Paucity of Hydrogen Bonds 3[Fe (C20 H19 O3)2] , 2C H4 O S AB1407 3057 P 21/c Two- and Three-Dimensional Hydrogen-Bond C13 H10 O3 S AB1407 3057 P 21/n Two- and Three-Dimensional Hydrogen-Bond C12 H10 O2 S S AB1418 3052 P -1 Piperazine--4,4'-Sulfonyldiphenol (1/2): C4 H12 N2 2+ , 2C12 H9 O4 S - S BK1217 3183 P -1 A Bicyclo[2.2.1]heptenone System C36 H27 N O S BK1235 3229 P -1 2,4,6-Tri-O-benzyl-myo-inositol 1,3,5-Tr C69 H69 O15 P3 BK1239 2987 P 21 /n [2,2'-Oxybis(1,1,1,3,3,3-hexafluoro-2-pr [Cu (C6 F12 O3) (C6 H6 N2)], 0.5C6 H6 S BK1247 2984 C 1 2/c 1 cis-Diaquabis(2,2'-bipyrimidine-N,N')cob [Co (C8 H6 N4)2 (H2 O)2] (Cl O4)2 , 2H2 O S BK1259 3040 P-1 Nitrato(2,3,7,8,12,13,17,18-octaethylpor [Fe (C36 H44 N4) (N O3)] S BK1262 3083 P 21/a 4-(2-Naphthyl)butanoic Acid C14 H14 O2 BK1263 3106 P 21/n (Dicyclohexylphosphino)borane, BH~3~PH(C C12 H26 B P S BK1264 2996 P 21/c Triaqua(oxydiacetato-O,O',O'')strontium [Sr (C4 H4 O5) (H2 O)3] , H2 O S BK1266 3088 P b c n 2-Hydroxybiphenyl-3-carboxylic Acid (3-P C13 H10 O3 BK1270 2994 P 21/n Aqua[2,6-diacetylpyridinedi(benzoic acid [Co (N O3)(C23 H21 N5 O2)(H2 O)] N O3 BK1271 3091 P -1 9,10-Bis(1-pyridiniomethyl)anthracene Di C26 H22 N2 2+, 2Cl 1-, 2C H4 O, H2 O BK1272 2992 P 42/m b c Solvate Dependent Polymorphism: Crystall [Mn2 (C12 H12) (C O)6] , C H2 Cl2 BK1273 3093 P 21/c 9,10-Bis(7-fluoro-2,5-dioxaheptyl)tripty C30 H32 F2 O4 BK1274 3250 P 21/c 3,7-Bis(2-thienyl)-1,5,2,4,6,8-dithiatet C10 H6 N4 S4 BK1275 3013 P 21/n Pentaammine-2\k^5^N-(\m-4,4'-bipyridine- [Ru2 (C10 H8 N2)2 (C15 H11 N3) (N H3)5](P F6)4 , C S BM1063 3246 C 2/c 1,1,3,3-Tetramethylurea C5 H12 N2 O S BM1074 3049 P b c a Restricting Chelate Ring Flipping in [Cu(C~6~H~8~N~2~)~2~](BF~4~)~2~ S BM1090 3199 P 21/c Two Schiff Base Ligands Derived from 2 C23 H30 N2 O2 S BM1090 3199 P -1 Two Schiff Base Ligands Derived from 2 C31 H30 N2 O2 S BM1095 3100 P -1 6-Ammonio-(1H^+^)-1,4,8,11-tetraazacyclo C9 H21 N5 O2 2+,2Cl -,C H4 O BM1103 3152 P b c a 1,3-Diphenyl-4-imidazoline-2-thione C15 H12 N2 S S BM1113 3219 P 21/c A Strained Cyclononadieneyne C12 H11 Cl O2 BR1116 2959 P 63/m Chlorapatite: Ca~5~(AsO~4~)~3~Cl Ca5(AsO4)3Cl S BR1152 2963 P 21/c Rubidium Indium Antimonide, Rb~2~In~2~Sb Rb2 In2 Sb3 BR1153 2956 P n m a Gadolinium Potassium Hexacyanoferrate(II Gd K Fe (C N)6 , 3H2 O CF1089 3028 C 2/c Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedi [Ba (C5 H O2 F6)2 (C12 H26 O6)] S CF1101 3131 P21/c 12-(N-Benzoylimino)-11,12-dihydrobenzimi C21 H14 N4 O S S CF1108 3213 P21/n A Strained Tricyclic Product of a Dipola C27 H28 Cl2 N6 O4 CF1123 3135 P21/c 1-Diphenylphosphino-2-phenyl-1,2-dicarba C20 H25 B10 P CF1125 3039 C 2/c cis-Tetracarbonyldi(pyridine-N)tungsten( [W1 (C5 H5 N1)2 (C1 O1)4] S CF1131 3055 C 2/c N-H...\p(arene) Hydrogen Bonding in 4,4' C4 H10 N2 , C12 H10 O2 S S DE1023 3033 P 21/c \b-meso(5,7,7,12,12,14-Hexamethyl-1,4,8, [Ni (C16 H36 N4)] (Cl O4)2 , H2 O DE1029 3145 P -1 1-(2-Naphthyl)-3-(4-nitrophenyl)prop-2-e C19 H13 N O3 DE1035 3177 P 1 21/n 1 1-Methyl-2-phenyldecahydroquinolin-4-one C16 H22 N2 O DU1158 2967 P 1 21/n 1 La Phase Monoclinique Li~2~Nb~0,5~In~1,5 Li2 Nb0.5 In1.5 (P O4)3 DU1162 2947 C 2/c K~2~MoO~2~(MoO~2~As~2~O~7~)~2~ K2 Mo O2 (Mo O2 As2 O7)2 S FG1217 3086 P 21/c sym-Hexahydropyrene C16 H16 FG1226 3190 P 21/c (+-)-1,11-Dimethyl-3,9-dinitro-5,7-dihy C16 H14 N2 O5 S FR1005 3081 P 21/n Coumarin-3-carboxylic Acid C10 H6 O4 HA1177 3062 P 1 21/c 1 4,7-Bis(2-thiophenoyl)-1-thia-4,7-diaz C16 H18 N2 O2 S3 S JZ1112 2960 P 1 21/c 1 A Mixed Nickel--Lithium Pyrophosphate, L Li Ni1.5 P2 O7 JZ1124 3045 I 41/a Bis(triethylsulphonium) Tetraiodocadmate (C6 H15 S)2 [Cd I4] JZ1155 3110 P 21/n 6-Amino-1,3-dimethyl-5-(4-oxo-2-penten-2 C11 H16 N4 O3 S JZ1156 3073 P 21/c Tetraprotonated Tetra(2-pyridyl)pyrazin [C24 H20 N6] 4+ , 4Cl - , 2H2 O S KA1210 3098 P 21/c The 1:1 Molecular Complex of N,N'-Bis(4- C18 H20 N2 O2, C6 H6 O2 S KA1211 3258 P 21/n 4,5-Dihydroxy-1-nitroanthracene-9,10-dio C14 H7 N1 O6 S KA1212 3118 P b c a (Z)-2-Acetoxy-3,3',4'-trimethoxystilbene C19 H20 O5 S KA1215 3124 P 21/n Columnar Stacking of 1,3-Diphenyl-1,2, C19 H14 N3 KH1096 3127 P21/n Ethyl 2-Fluoro-3-oxo-2-(p-toluoyl)-3-(p- C20 H19 O4 F S KH1109 3114 P 1 21/c 1 meso-(3,5-Di-tert-butylphenyl)-2,2'-dipy C23 H30 N2 S KH1110 3069 Pbca The First Crystal Structure Analysis of C12 H16 O2 S KH1110 3069 P2~1~/n The First Crystal Structure Analysis of C14 H20 O2 S LI1150 3159 P 21/c Hydrogen Bonding in 4,4-Dimethylcyclohex C9 H14 O2 , H2 O S MU1201 3019 P -1 trans-Bis(dicyanamido)tetrakis(4-methyli [Ni (C2 N3)2 (C4 H6 N2)4] S MU1259 3035 C2/c [1,8-Bis(2-hydroxyethyl)-1,3,6,8,10,13-h [Ni (C12 H30 N6 O2)] [Ni (C4 N2 S2)2] S MU1263 3248 P b c a An Inorganic N-Amino Analogue of Pyrrole C14 H18 B2 N4 MU1269 3140 P -1 10-(N-Carboxymethylcarbamoyl)-3,7-bis(di C19 H22 N4 O3 S, C2 H6 O MU1270 3064 P -1 An Unusual 3H-Pyrrole at 150K C19 H18 N2 O7 MU1277 3171 P b c a o-Cyanophenol C7 H5 N O S MU1284 3016 P 21/c 1:2 Adduct of Tetrakis(\m-thiobenzoato-O [Mo2 (C7 H5 O S)4] , 2C18 H15 O P S MU1286 2982 P 1 21/c 1 Ruthenium(II) Complex Containing a New H [Ru Cl (C5 H13 P S) (C10 H14)] , [B (C6 H5)4] , 0. A C MU1287 2975 P -1 Tetrachloro[2-(phenylamino)pyridinato]ti (C11 H11 N2)[Ti Cl4 (C11 H9 N2)] S NA1248 3129 P 1 21/n 1 4-[5'-Oxo-1',3'-diphenyl-4'-(p-tolylmeth C46 H38 N4 O2 NA1250 3007 P 1 21/n 1 Di-\m-chloro-bis[(diethylenetriamine)d [Cu2 Cl2 (C4 H13 N3)2] (N O3)2 S NA1253 3202 P 1 21/c 1 3-Methoxy-1,4-benzoquinone 4-Oxi C7 H7 N O3 NA1256 3150 P b c a (3R*,4S*)-4-[(S*)-2-Cyclohexyl-2-(tert-b C26 H52 O3 Si2 OA1003 3024 P c c n Linear-Chain Structure of Bis(O,O'-dimet [Cd (C2 H6 O2 P1 S2)2] SK1032 3154 P -1 2,2':6',2"-Terpyridinium Trifluoromethan C15 H12 N3 + , C F3 O3 S - SK1050 2990 P 21/n Bis(dicyclohexylammonium) (C12 H24 N)2 [Sn (C2 O4)2 (C H3)2 (H2 O)] , C2 H6 S TA1083 3005 C 1 2/c 1 An Oxo-Centered Trinuclear Cobalt(II)--D [Co Fe2 O (C2 H3 O2)6 (H2 O)3] , 2H2 O ? TA1091 3222 P 21/n (E)- and (Z)-4-Ethynyl-4'-nitrostilbene C16 H11 N O2 TA1091 3222 P 21/a (E)- and (Z)-4-Ethynyl-4'-nitrostilbene C16 H11 N O2 TA1093 3169 P -1 N-(tert-Butoxycarbonyl)-2-phenylglyci C13 H17 N O4 S TA1097 3232 P 21/a Conformation of Crystalline 3-(4-Methoxy C16 H26 O TA1099 3204 P 21/c cis and trans-4-tert-Butylcyclohexyl p-N C16 H23 N O5 S TA1102 3043 I 41/a A Cadmium(II) Complex of Creatinine, [Cd(C4 H7 N3 O)2(C2 H3 O2)2] , 0.5H2 O TA1105 3138 P -1 Tetraethyl (1Z,3Z)-Buta-1,3-diene-1,2,3, C16 H22 O8 TA1111 3238 P 21/c 3,3-(Oxydiethyl)-1,2-di(o-methylphenyl)g C19 H24 N3 O +, Cl -, H2O S TA1112 3116 P 21/c \a,\a-Diacetoxy-2,4-dichloro-5-nitrobenz C11 H9 Cl2 N O6 AB1273 307 I 2/a cis-Dipyridine Complex of Bis(\w-nitroa [Mn (C8 H6 N O3)2 (C5 H5 N)2] S AB1276 279 P -1 Dirubidium Tetrachlorodioxouranium(VI)-- Rb2 [U1 O2 Cl4], 2H2 O1 AB1290 387 P -1 The Ribonucleotide Reductase R1 Inhibito C10 H19 N3 O4 S AB1323 418 P 21/n 6-Amino-4-methoxy-2-methylthiopyrimidine C6 H9 N3 O S S AS1191 397 P 1 21/n 1 1,1'-Diphenyl-1,1'-bicyclopropyl and 1 C18 H18 AS1191 397 P b c a 1,1'-Diphenyl-1,1'-bicyclopropyl and 1 C20 H22 AS1204 364 P 1 21/a 1 Coumarin 106, C~18~H~19~NO~2~ C18 H19 N O2 AS1214 395 P 1 21/n 1 An Orange Form of Coumarin 314 C18 H19 N O4 AS1216 372 P 1 21/n 1 5-Amino-8-methyl-1,2-dihydrothieno(and f C11 H11 N3 S AS1216 372 P 1 21/n 1 5-Amino-8-methyl-1,2-dihydrothieno(and f C11 H11 N3 O BK1135 336 P 1 21/n 1 (\h^4^-Cycloocta-1,5-diene)(2-pyridinet [Ir (C5 H4 N O S) (C8 H12)] BK1136 361 I 4/m Chloro(5,10,15,20-tetraphenylporphyrinat [Mn (C44 H28 N4) Cl] S BK1161 484 P 1 21/n 1 2-(2-Fluorobenzoylamino)benzoic Acid C14 H10 F1 N1 O3 BM1016 295 F d -3 (o The PF~6~^-^/BF~4~^-^ Mixed Salt of the [AuPt3 (C25 H22 P2)3 (C18 H15 P)] (BF4)0.25 (PF6)0 BM1021 447 P -1 5-(p-Anisidino)-4-cyano-2,3-dihydro-3-py C11 H10 N4 O2, 0.5H2 O BM1022 400 P -1 Bis(methylthio)ethylenedithiotetrathiafu C10 H10 S8 BM1025 317 C 2/c Tetraethylammonium Bis(isothiocyanato)tr (C8 H20 N)[Sn (C6 H5)3 (N C S)2] S BM1027 321 P 21/n Dipyridiniomethane cis- and trans- Diflu (C11 H12 N2)[Os Cl4 F2] S BM1027 321 P -1 Dipyridiniomethane cis- and trans- Diflu (C11 H12 N2)[Os Cl4 F2] S BR1035 444 C 1 2/c 1 A 5,18:9,14-Di-o-benzeno-6,17:7,16:8,15 C63 H55 Cl3 O4 S1 , 0.5H2 O BR1121 281 P -1 Hexachlorotetra-\m~3~-chloro-tetra-\m~ Re6 Te4 Cl10 S 0 P 21/n [Sn Cl (C6 H5)3 (H2 O)] , C16 H16 N2 S CR1196 438 P 21/n N-(4-Bromophenyl)-5,6-dichloronicotinami C11 H7 Cl1 F1 N3 O1 S CR1201 436 P -1 Dimethyl 2,2,6,6-Tetramethyl-3,5-dioxo-4 C12 H18 O7 DU1114 432 C 2/c Bis(o-ph\'enyl\`enediammonium) cyclo-T\ 2C6 H10 N2 2+, P4 O12 4- , 2H2 O S DU1134 290 P -1 Diphosphorus Tetraiodide at 120K P2 I4 S DU1139 434 P 21/n Hexa(para-ph\'enolammonium) cyclo-Hexap 6C6 H8 N O 1+, P6 O18 6-, 8H2 O S FG1043 305 P 1 21/n 1 Bis(1,3,5-triaza-7-phosphaadamantane-P)g [Au (C6 H12 N3 P)2] Cl FG1048 358 P 1 21/c 1 Bis(N^1^-isopropyl-2-methylpropane-1,2-d [Cd (N C S)2 (C7 H18 N2)2] FG1071 333 P -1 (+-)-cis-Dichloro[P-(isopropylamino)dina [Pt Cl2 (C23 H20 N O2 P) (C6 H15 P)] , C H2 Cl2 FG1087 377 P 2/n Tetraphenylphosphonium Triiodide C24 H20 P1 1+, I3 1- HU1079 449 P -1 4,5-Dicyano-4',5'-ethylenedithiotetrathi C10 H4 N2 S6 JZ1035 342 P 21/c The Role of C---H...O Bonds in Stabilizi C5 H4 O3 S JZ1035 342 P 21/c The Role of C---H...O Bonds in Stabilizi [Ca (C5 H3 O3) (H2 O)3](C5 H3 O3) S JZ1035 342 P 21/c The Role of C---H...O Bonds in Stabilizi [Sr (C5 H3 O3) (H2 O)3](C5 H3 O3) S JZ1038 302 C2/c Bis(methanol-O)(2,3,7,8,12,13,17,18-octa [Fe1 (C36 H44 N4)(C1 H4 O)2] (Cl1 O4), 2C1 H4 O1 JZ1058 347 P 2/c Carboxylate and Furan-Ring Oxygen Bonded Ca 2+,2C5 H3 O3 1- S JZ1063 330 P 1 1 2/n (c al Tetraphenylphosphonium Pentachlorostann (C24 H20 P) [Sn Cl5] S JZ1063 330 P 4/n Tetraphenylphosphonium Pentachlorostann (C24 H20 P) [Sn Cl5 , H2 O] S JZ1069 328 P -1 trans-Dichlorobis[tris(pentafluorophenyl [Pd Cl2 (C18 F15 P)2] S JZ1070 356 P -1 Hexacarbonyl(\h^5:1^-2-cyclopentadienedi [Mo W(C7 H8) (C5 H8 O) (C O)6] S JZ1075 469 P 1 21/c 1 syn-1,5-Dimethylbicyclo[3.2.1]oct-8-yl C17 H23 N O2 S JZ1085 453 P 21/c Dipyridiniomethane 1-Iodo-closo-decabora C11 H12 N2 2+, B10 H9 I 2- S KA1124 315 P -1 Bis(dimethylglyoximato-N,N')(isopropyl)( [Rh(C4 H7 N2 O2)2 (C3 H7) (C18 H15 P)] S KH1030 477 P -1 A Second Triclinic Polymorph of Coumarin C16 H14 F3 N1 O2 S KH1052 403 P 1 21/c 1 A Key Intermediate in the Synthesis of P C19 H18 N2 O2 KH1057 472 P 2~1~/n N-[2-(1-3H-Indenyl)ethyl]-p-toluenesulf C18 H19 N O2 S S MU1169 292 P -1 [PPN]~2~[Cr~2~(CO)~10~], a Salt of the D [(C18 H15 P)2 N1]2 [Cr2 (CO)10] S MU1180 351 I 41/a Tetrakis(o-benzoylbenzoato-O,O')lead(IV) [Pb (C14 H9 O3)4], C H2 Cl2 MU1193 288 C 2/c Sodium Hexanitroruthenate(II) Monohydrat Na4 [Ru (N O2)6] , H2 O S MU1199 312 P 21/c A 2:1 Mixture of Tetrabutylammonium (C16 H36 N1)2 [Ni (C3 S4.67 Se0.33)2] S MU1215 414 P bca \a\b\b\a-3,4-Dimethyl-2,5-bis(3,4,5-trim C24 H32 O7 S NA1149 429 P 1 21/c 1 Bromobis(dimethyldithiocarbamato)(4-meth C13 H19 Br N2 O S4 Te, 0.45(C H2 Cl2) S PA1162 474 C 1 2/c 1 Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-d C12 H20 N2 O2 PA1162 474 P b c n Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-d C12 H20 N2 O2 PA1200 391 P 21/n 8-Chloro-5-(4-methylpiperazin-1-yl)-11H- C17 H18 Cl1 N5 S PT1028 375 P 1 21/n 1 2-Bromoacetoxybenzoic Acid, a Brominated C9 H7 Br O4 S SX1007 486 P21/n Two Isoxazolidines C19 H19 N1 O3 SX1007 486 P b c a Two Isoxazolidines C18 H17 N1 O3 SZ1010 300 P 1 21/c 1 Chlorohydrido[2(1H)-pyridonato-N,O]bis[t [Ir Cl (H) (C5 H4 N O) (C9 H21 P)2] SZ1019 481 P b c n 3,3,6,6-Tetramethyl-10-(4-methylphenyl)- C24 H29 N1 O2 SZ1024 451 P 1 21/c 1 4-Chloro-7-(iodoacetyl)amino-3-methoxyis C12 H9 Cl1 I1 N1 O4 SZ1032 319 P -1 Chloro(ethylenediamine)(6-phenylimidazo[ [PtCl(C~2~H~8~N~2~)(C~11~H~8~N~2~S)]NO~3~ S SZ1037 460 P -1 Dimethyl(2-{[2,3-di(p-tolyl)-5-methyl-1- C42 H41 N1 O1 TA1026 470 P -1 A 1:1 Molecular Complex of 1,5-Diphenylb C14 H13 N3 O2,C8 H7 N3 O1 None TA1028 309 P 1 21/c 1 [Cr{tren(impy)~3~}](ClO~4~)~3~, where tr [Cr (C24 H27 N7)] (Cl O4)3 TA1031 466 R -3 1:1 Adduct of Tris(4-hydroxy-3,5-dimethy C27 H33 N O3, C6 H12 N4 S TA1039 370 P 21/n An ABC-ring Analogue of Paclitaxel (Taxo C20 H22 Br N O5 TA1041 368 P 21/n 4a-Phenylperhydro-1,4-dioxacyclopropa[cd C12 H12 O2 AB1126 203 P -1 2-Cyano-N-furfuryl-3-(2-furyl)acrylamide C13 H10 N2 O3 AB1128 69 P -1 A Novel Octanuclear Mixed-Metal Cluster: Na2 [Cr0.5 Fe0.5 Mo3 O4 (C3 H5 O2)8]2 AB1148 166 P b c n 4,4'-Dichloro-2,2'-iminodibenzoic Acid C14 H9 Cl2 N O4 AB1283 16 C 1 2/m 1 Di-\m-aqua-bis[bis(nitrato-O,O')dioxoura [U2 O4 (N O3 )4 (H2 O )2 ] , 2C4 H11 N O AB1284 215 P 1 21/c 1 5-tert-Butylthiazolidine-2-thione and 5- C7 H13 N S2 AB1284 215 P b c a 5-tert-Butylthiazolidine-2-thione and 5- C9 H9 N S2 AB1297 11 P 21/c Racemic cis-Dichlorobis(2,2,6,6-tetramet [Ti (C11 H19 O2)2 Cl2] S AB1307 254 P 21/c 6-[1,2-(Z)-Bis(methoxycarbonyl)vinyl]ami C14 H20 N4 O6 S AB1308 143 P -1 2-Amino-6-methoxy-4,5-di(methoxycarbonyl C10 H12 N2 O5 S AB1308 143 P -1 2-Amino-6-methoxy-4,5-di(methoxycarbonyl C10 H12 N2 O4 S S AB1318 170 P 21/n 6-Amino-5-hydroxyiminomethyl-1-methylura C6 H8 N4 O3, H2 O1 S AB1322 228 P 21/c Co-Crystallisation of Stereoisomers of N C24 H28 N2 O8 S AB1322 228 P21/c Co-Crystallisation of Stereoisomers of N C24 H28 N2 O8 S AS1156 231 P 1 21/a 1 Molecular Co-Crystals of Carboxylic Acid C2 H5 N4 1+ , C7 H4 N O5 1- S AS1186 56 P 21/n A Polymeric Cu^I^ Complex of Bis(1-pyraz [Cu2 I2 (C14 H16 N6)] AS1192 35 P 21/c Adduct of AlMe~3~ with Benzo[f]quinoline [Al(CH3)3 (C13 H9 N)] BK1075 80 P a -3 Ethynyltetrakis(trimethylphosphine)cobal [Co (C2 H1)(C3 H9 P1)4] BK1134 17 P 21/c Piperazine Metavanadate (C4 H12 N2 )(V O3 )2 S BK1139 224 C2/c 3,3-Dimethylglutaronitrile C7 H10 N2 S BM1032 259 P 1 21/c 1 Phenyl 2-(Trimethylsilylethynyl)phenyl K C18 H18 O1 Si1 BM1035 222 P -1 1-(Benzo[a]phenazin-5-yl)-2-acetyloxynap C28 H18 N2 O2 S BR1115 61 C m c m Neodymium Hexacyanocobaltate (III) Tetra Nd Co (C N)6 , 4H2 O CF1000 197 P 21/c N-Hexyl-N-phenyl-5-ethylthioindole-2-car C23 H28 N2 O1 S S CF1010 210 P 21/n 1,2-Bis[2,3,4,5,6-pentakis(phenylthio)ph C74 H54 S10 S CF1015 74 P21/n cis-(Benzenethiolato)bis(tert-butyl [Mo(C~6~H~5~S)(C~5~H~9~N)~2~(C~5~H~5~)(CO)] S CF1022 66 P 21/n trans-Tetracarbonylbis(tri-tert-butyl ph [Mo (C O)4 (C12 H27 O3 P1)2] S CF1029 188 C 2/c 5-Nitro-2-furancarboxylic Acid C5 H3 N O5 S CF1030 41 P b c n Cu~3~(bdmap)~4~Cl~2~(CH~3~OH), bdmap = 1 [Cu3 Cl2 (C7 H17 N2 O)4 (CH4 O)] CF1033 21 P -1 catena-{[HgCl~2~([18]aneS~2~O~4~)]HgCl~2 [Hg2 Cl4 (C12 H24 O4 S2)] S CR1175 186 P 1 21/a 1 1\b-(4-Methoxybenzyl)-8\a-vinyl-7-oxabic C18 H24 O3 CR1195 95 P 1 21/c 1 1-Bromo-2,7-dimethylnaphthalene C12 H11 Br1 0 P 21/c C12 H24 N1 + , C8 H13 N2 O2 S4 - S DU1137 3 P n m a KMoO~2~AsO~4~ K MoO2 AsO4 S FG1066 29 C 1 2/c 1 The Polymeric Cluster Compound [(tmenH~2 (C6 H18 N2)[W2 Ag2 S8] , (C6 H16 N2) , H2 O FG1067 77 P -1 (\h^3^-Allyl)dicarbonyl(1,10-phenanthrol [Mo(C2 F3 O2)(C3 H5)(C12 H8 N2)(C O)2] S FG1067 77 A 2/n (\h^3^-Allyl)dicarbonyl(1,10-phenanthrol [Mo(C2 F3 O2)(C4 H7)(C12 H8 N2)(C O)2] S FG1077 83 P b c a (dl)-Pheniramine Hydrogen Maleate C16 H21 N2 + , C4 H3 O4 - FG1090 72 C 2/c Bis(acetato)bis(pyridine-2-amidoxime-N,N [Ni (C2 H3 O2)2 (C6 H7 N3 O)2], 2C2 H5 O H S HA1143 24 P 21/n Potassium Dibenzo-18-crown-6 Triiodide [K (C20 H24 O6)]I3 S HA1147 136 P b c a N-[3-Methyl-2(3H)-thiazolylidene]benzami C11 H10 N2 O S HU1094 31 P b c a Bis(1,2-benzenediolato)dimethanolgermani [Ge (C6 H4 O2)2 (C H4 O)2] , 2C H4 O JZ1054 89 P -1 \a-Phenylselenomethoxycarbonylmethyl(tri C27 H23 As O2 Se JZ1061 177 P 21/n Extremely Long C---C Bonds in Strained 1 C36 H24 Cl2 S JZ1061 177 P -1 Extremely Long C---C Bonds in Strained 1 C68 H46 Cl4,1.5C7 H8 S JZ1062 250 P -1 2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0 C4 H8 As O P S2 S KA1132 48 P-1 Cyanobis(1,10-phenanthroline)copper(II) [Cu(CN)(C12 H8 N2)~2~] [C(CN)~3~] ,2H~2~O KA1141 118 C 2/c Conformation of Acyclic Derivatives of 1 C32 H26 O4 S KA1141 118 P 21/c Conformation of Acyclic Derivatives of 1 C30 H22 O4, 2C2 H6 O S KA1141 118 P 2/n Conformation of Acyclic Derivatives of 1 C30 H24 Br2 S KA1145 183 P -1 7,7'-Bis[(aza-18-crown-6)carbonyl]thioin C42 H54 N2 O14 S2 KH1008 19 C 1 2/c 1 A New Zirconocene Complex, [Zr1 Cl2 (C16 H25)2] KH1043 172 P 1 21/c 1 trans-1,2-Bis(8-hydroxy-2-quinolinyl)eth C20 H14 N2 O2 KH1045 27 P -1 The Heterotrimetallic Linear Complex T (C8 H20 N)[Ag Fe W S4 Br2 (C18 H15 P)2] KH1050 43 P-1 A Tetracarboxylatobenzene-Bridged Binuc [Cu2 (C10 H2 O8)(C6 H17 N3)2 (H2 O)2] ,8H2 O S LI1137 262 P21/c A Trimer from 5,5-Dimethylcyclohexan-1,3 C24 H31 O5 + , 0.41O H - S MU1132 33 P 1 21/a 1 The Intercalation Compound 1,4-Benzenedi (C6 H10 N2)[Cd Cl4] MU1185 97 P 21/c 2-(Phosphonomethyl)acrylic Acid Hemihydr C4 H7 O5 P , 0.5H2 O S MU1185 97 P 21/c 2-(Phosphonomethyl)acrylic Acid Hemihydr [N H4] 1+ , C4 H6 O5 P 1- S MU1192 46 P 1 21/c 1 N-Methylquinolinium Bis(6,7-dihydro-5H-1 (C10 H10 N)[Ni(C5 H6 S4)2] MU1197 37 P 1 21/n 1 mer-Bis[2,6-bis(1-phenyliminoethyl)pyrid [Cu (C21 H19 N3)2] (Cl1 O4)2 S MU1198 87 P -1 Methyl 3-(4-Methoxyphenylmethylene)dithi C10 H12 N2 O1 S2 S MU1200 139 P bca 1,3-Dibenzylthiourea and 1,3-Dicyclohexy C15 H16 N2 S S MU1200 139 P 21/c 1,3-Dibenzylthiourea and 1,3-Dicyclohexy C13 H24 N2 S S MU1202 194 P 21/c 4-(4-n-Heptylbenzoyloxy)benzoic Acid C21 H24 O4 S MU1205 85 P 21/c Attractive Edge--Face C26 H46 O2 S MU1208 39 P b c n cis-Diisothiocyanatobis(1,10-phenanthrol [Cu (N1 C1 S1)2 (C12 H8 N2)2 ] NA1144 63 P 1 21/c 1 Anhydrous trans-(Aniline)chlorobis(dim [Co Cl(C4 H7 N2 O2)2 (C6 H7 N)] NA1163 59 P 21/c catena-Poly[dinitratocobalt(II)-\m-2,5-b [Co (N O3)2 (C18 H10 N2 S)]3 NA1176 153 P 1 21/n 1 5-Ethoxy-1,2-benzoquinone 2-Oxime C8 H9 N O3 PA1183 256 P 21/a 3-(4-Bromoph\'enyl)-1-[4-(4-bromoph\'eny C40 H46 Br2 O2 PA1188 207 P 1 21/c 1 Two cis Ring-Fused exo N-Aryl Heterocycl C24 H29 N O PT1002 168 P -1 2-Phenylmaleic Anhydride C10 H6 O3 PT1013 244 P 1 21/n 1 (+-)-trans-2-Benzoylcyclohexanecarboxyli C14 H16 O3 PT1017 205 C 1 2/c 1 Pyo~2~[18]diene-N~6~.4HBr.H~2~O C18 H30 N6 4+ , 4Br - , H2 O1 SZ1021 112 P 1 21/c 1 N-Acetyliminodiacetate Dimethyl Ester C8 H13 N1 O5 SZ1038 189 P 1 21/c 1 1-Trityl-4-nitroimidazole C22 H17 N3 O2 SZ1039 107 P -1 14-Membered Macrocycles: Methyl C21 H30 O4 SZ1039 107 P -1 14-Membered Macrocycles: Methyl C21 H28 O4 SZ1040 159 P 21/c 3,4-Pyrazino-3',4'-ethylenedithio-2,2',5 3C10 H6 N2 S6 , Tl I4 , C2 H3 Cl3 SZ1042 8 P -1 A Dinuclear Holmium(III) 'C atoms Apart' [Ho2 Li2 Cl4 (C8 H22 B4 Si2)2 (C6 H16 N2)3], C10 H S SZ1043 94 P -1 5-Methyl-3-(1-phenylethylidene)-2,3-dihy C17 H14 O2 SZ1044 237 P -1 Structural Aspects of the Nucleophilic A C12 H18 O2 S A S Y SZ1044 237 P c a b (No. 61 Structural Aspects of the Nucleophilic A C12 H20 O4 A S Y SZ1046 104 P -1 A Pinacol Precursor to a Chiral Spiro Co C18 H18 O2 TA1032 248 P -1 2-Amino-3-methylpyridinium Bromide Monoh C6 H9 N2 +, Br -, H2 O S TA1035 101 P 21/n 3,4-Dihydro-3-methyl-6-nitro-2H-1,3-benz C9 H8 N2 O4 S VJ1027 162 P -1 A \b-Adrenergic Agonist: Protonated Terb C12 H20 N1 O3 + , 0.5(S O4 2-) S VJ1028 164 P bca An \a-Adrenergic Agonist: C16 H25 N2 O1 +,Cl -,H2 O1 S AB1279 1784 P 21/c 1-(p-Methoxyphenyl)-2-methyl-4-nitroimid C11 H11 N3 O3 S AB1279 1784 P -1 1-(p-Methoxyphenyl)-2-methyl-4-nitroimid C12 H11 N3 O3 S AB1280 1618 C 2/c Potassium Aqua(3,4-toluenediamine-N,N,N K [Fe (C15 H14 N2 O8 ) (H2 O)] , 1.5H2 O S AB1282 1703 P -1 2-Bromomethyl-3-(2-ethylphenyl)-4(3H)-qu C17 H15 Br N2 O S AB1305 1689 P 21/c Haloaryl Carboranes. I. C22 H30 B20 F4 S AB1334 1605 P-1 Hexaaquagallium Hexahydrogenhexamolybdoc [Ga (H2 O)6 ][Co (O H)6 Mo6 O18 ],10H2 O S AB1361 1795 P 21/n A Diaza Analogue of Benzo-15-crown-5 C14 H22 N2 O3 AB1362 1774 P 1 21/n 1 Bandrowski's Base C18 H18 N6 S BK1163 1745 P 21/c 1:1 Complex Formed by 2-Picoline N-Oxide C6 H7 N O, C6 H5 N O3 S BK1167 1736 P 1 21/c 1 O-Phospho-DL-threonine and O-Phospho-L-t C4 H10 N O6 P BK1196 1612 P 21/n Manganese Cupferronate [Mn (C6 H5 N2 O2)2] BK1205 1851 C 2/c 4,5-Bis(fluorodinitromethyl)-2-methoxy-1 C6 H6 F2 N4 O11 BK1212 1614 P 21/c Bis(\h^5^-cyclopentadienyl)bis(formato-O [Ti (C5 H5)2 (C H O2)2] BK1216 1673 P 21/c Two Derivatives of Lithium Isodicyclop [Li (C10 H11) (C6 H16 N2)] S BK1216 1673 P -1 Two Derivatives of Lithium Isodicyclop [Li (C8 H16 O4)2] [Li(C10 H11)2] S BK1221 1631 P -1 Phenylimidopentachloroniobate(V) Dianion (C9 H12 N1)2 [Nb1 Cl5 (C6 H5 N1)] S BK1226 1847 P 1 21/c 1 3-[(2-(Phenylsulfonyl)ethenyl]-4H-1-benz C17 H12 O4 S1 BM1046 1708 P 21/a Anti-Inflammatory Drugs. III. Salts of D C7 H16 N O 1+, C14 H10 Cl2 N O2 1- S BM1046 1708 P 21/a Anti-Inflammatory Drugs. III. Salts of D C6 H14 N O2 1+, C14 H10 Cl2 N O2 1- S BM1046 1708 P 21/a Anti-Inflammatory Drugs. III. Salts of D C6 H15 N2 O 1+, C14 H10 Cl2 N O2 1- S BM1051 1787 P b c a 2,3-Dihydro-1,4-dithiaphenanthrene 1,4-D C12 H10 O2 S2 S BM1056 1808 P-1 3-(m-Bromophenyl)-1-(3-methyl-2-pyridyl) C16 H13 Br N2 O2 S BM1062 1666 P 21/n Redetermination of [(\m~2~-OEt)~2~{SnCl~ [Sn2 Cl6 (C2 H5 O1)2 (C2 H6 O1)2] BR1123 1594 P -1 Lead(II) Diiron(III) Pyrophosphate and B Pb Fe2 (P2 O7)2 BR1123 1594 C 2 /c Lead(II) Diiron(III) Pyrophosphate and B Ba1 Fe2 (P2 O7)2 BR1132 1599 P 4/m m m Refinement of La~1.5~Ba~1.5~Cu~3~O~7-x~ La1.5 Ba1.5 Cu3 O7-x S BR1134 1607 P m n b [Os~5~(\m-H)~2~(CO)~16~]: a Second Cryst [Os5 (H)2 (CO)16 ] BR1137 1597 P 21/n Copper(II) Diiron(III) Pyrophosphate Cu1 Fe2 (P2 O7)2 CF1055 1668 P 21/a Trimethyl[3-(triphenylstannyl)propyl]amm [Sn (C6 H5)3 (C6 H15 N)]I CF1057 1779 P 21/n 3,3-Dichloro-4-(p-methoxyphenyl)-1-pheny C16 H13 Cl2 N O2 CF1059 1813 P 21/n 8,9,10,11-Tetrahydrobenz[c]acridine C17 H15 N1 S CF1063 1720 P 21/c 4,5-Diaza-9-fluorenone Isonicotinoylhydr C17 H11 N5 O1, H2 O1 S CF1086 1634 P b c a Racemic (\a-Ferrocenylphenacyl)triphenyl [Fe (C5 H5) (C31 H25 O P)]I S DE1017 1747 P 1 21/c 1 A Multichromophoric Bicyclo[2.2.2]octe C23 H20 O4 DE1017 1747 P 1 21/c 1 A Multichromophoric Bicyclo[2.2.2]octe C24 H24 O5 DU1148 1603 P21/n NiHP~5~O~14~ Ultraphosphate NiHP5O14 S FG1058 1641 P -1 trans-Dichloro(2-n-propylsulfinylpyridin [Pd Cl2 (C6 H15 P) (C8 H11 N1 O1 S1)] FG1079 1829 P-1 A cis-Fused Decalone and a Bicyclo[4.3.1 C17 H19 Br O3 FG1079 1829 P 21/c A cis-Fused Decalone and a Bicyclo[4.3.1 C11 H18 O2 FG1084 1629 P21/c catena-Poly[cis-dicloro-trans-dimethylti [Sn Cl2(C H3)2 (C14 H14 O2 S2)]~n~ S FG1104 1648 P -1 Bis[2-(2-pyridylmethylaminomethyl)phenol [Cu1 (C13 H14 N2 O)2] (C H3 O2)2 , 3H2 O1 FG1115 1645 P 21 /c 2,2':6',2''-Terpyridine(1-methylimidazo [Pt(C15 H11 N3)(C4 H6 N2)](Cl O4)2 , C2 H3 N S FG1168 1651 P 21/n Clemizoledichlorozinc(II) [ZnCl~2~(C~19~H~20~Cl~1~N~3~)] FG1182 1793 C2/c (Bromodifluoromethyl)diphenylphosphine C13 H10 Br F2 P S S HA1152 1716 P 21/c 1-Benzoyl-3-(4-nitrophenyl)thiourea C14 H11 N3 O3 S HA1158 1699 P 1 21/c 1 2,5-Dithiahexane-1,6-diyl-4,4'-bis(1,3-d C10 H14 O6 S2 S JZ1081 1770 P -1 5-Benzylidene-8-ethylthiocarbamoyl-9-phe C23 H25 N3 S JZ1092 1684 P -1 TAPSO at Low Temperature C7 H17 N O7 S S JZ1093 1687 P b c a HEPES C8 H18 N2 O4 S JZ1100 1733 P -1 Tris(n-propyl)phosphine and Tris(isoprop C9 H21 P JZ1100 1733 P 1 21/n 1 Tris(n-propyl)phosphine and Tris(isoprop C9 H21 P JZ1105 1643 C m c m Bis(1,3-diaminopropane)diiodoplatinum(IV [Pt I2 (C3 H10 N2)2]I2 , 2H2 O S JZ1110 1679 P -1 Aqua(hexacyanoferrato-N)bis(\m-glycine) [Ce Fe (C6 N6) (C2 H5 N O2)3 (H2 O)] , H2 O S JZ1113 1722 P 21/c 3-tert-Butyl-4-methyl-2-phenyl-3-(trim C17 H28 O2 Si S JZ1113 1722 P 21/c 3-tert-Butyl-4-methyl-2-phenyl-3-(trim C23 H32 O3 Si S KA1156 1718 P 1 21/n 1 5-Ethylamino-3-p-tolyl-1\l^4^,2,4-thiase C11 H13 N2 S Se 1+ , Br 1- KA1170 1713 P 21/c Morusin and Morusin Dimethyl Ether C25 H24 O6 S KA1170 1713 P -1 Morusin and Morusin Dimethyl Ether C27 H28 O6 S KA1175 1653 P21/n (Dicyanamido)bis(1,10-phenanthroline)cop [Cu (C2 N3) (C12 H8 N2)2] (C4 N3) S KA1176 1670 P -1 Sodium 1,12-Dodecylene Disulfate Hydrate 2Na + , C12 H24 O8 S2 2- , 2/3H2 O S KH1065 1627 P 21/n catena-Poly[cis-dichloro-trans-dimethylt [Sn1 Cl2 (C1 H3)2 (C8 H18 O2 S2)]~n~ S KH1080 1827 P 21/n Kynurenic Acid Monohydrate C10 H7 N1 O3, H2 O1 KH1081 1661 P -1 (5-Benzyldibenzo[b,d]phosphole 5-oxide)t [In (C H3)3 (C19 H15 O P)] KH1089 1751 P -1 Two Crystal Forms of 4'-Octyloxy-4-cyano C21 H25 N1 O1 S KH1089 1751 P 21/a Two Crystal Forms of 4'-Octyloxy-4-cyano C21 H25 N1 O1 S LI1145 1767 P -1 Intermediates in the Synthesis of (+)-Gr C15 H20 O4 S S MU1216 1621 P -1 5,5'-(2-Hydroxy-1,3-propandiyldiamino)bi [V O (C27 H28 N2 O5)] MU1226 1825 P 21/c 5,6,7,8,9,10-Hexahydro-10-hydroxy-5,9-me C11 H15 N1 O1 S1 S MU1229 1610 P 21/n A Hydrated Cobalt(II) Complex of Quinoli [Co (C7 H4 N O4)2 (H2 O1)2] MU1246 1658 P 21/c cis-Dichlorobis(1,10-phenanthroline-N^1^ [Cd Cl2 (C12 H8 N2)2] MU1247 1725 P 21/c (Pentafluorophenyl)diphenylphosphine C18 H10 F5 P MU1257 1789 P 21/n Methyl 2-Methoxycarbonylamino-3,3-diphen C18 H19 N1 O4 S NA1214 1705 P1 2/n 1 (unco A Racemic Bicyclic Acylamidine from a Tr C15 H25 N3 O2 NA1222 1772 P -1 1-Benzoyl-3-(4-methoxyphenyl)thiourea C15 H14 N2 O2 S1 NA1226 1759 P -1 Triclinic Form of DL-Valine C5 H11 N O2 S PA1190 1849 P 1 21/c 1 A New Precursor of 1,3,4-Thiadiazolesul C7 H10 Cl N3 O4 S2 PA1201 1834 C 2/c Specific Structural Features and Photoch C25 H18 O S PA1201 1834 P 21/c Specific Structural Features and Photoch C31 H22 O S PA1201 1834 P 21/c Specific Structural Features and Photoch C27 H18 O2 S PA1219 1695 P21/a \g-Lactones: C12 H16 O4 PA1219 1695 P21/a \g-Lactones: C12 H16 O4 PA1219 1695 P21/a \g-Lactones: C12 H18 O4 PA1225 1741 P21/c 3-Isopropylamino-4-methyl-4H-pyrido[4,3- C10 H14 N4 O2 S S PA1228 1761 C 2/c DL-Norleucine, \b Form at 120 K C6 H13 N O2 PA1229 1815 P b c a 5'-(2-Hydroxy-5-hydroxymethyl-3-methoxy C31 H30 O11 S PT1041 1801 P 21/n 2,4,6-Trichlorobenzoic Acid: Structure C7 H3 Cl3 O2 SK1002 1663 P 1 21/n 1 Bis(triphenylphosphin)iminium-Tetrakis(p (C36 H30 N P2) [Ga (C6 F5)4] S SK1012 1727 P b c a 2,2'-Biphenol Monohydrate C12 H10 O2, H2 O S SZ1002 1817 P -1 1,2-Diacetyl-4-phenyl-1,2,4-triazolidin C12 H11 N3 O4 SZ1026 1731 P 1 21/c 1 Ethyl Cyano(4-oxo-3-phenyl-1,3-thiazolid C14 H12 N2 O3 S1 S SZ1041 1799 P b c a 2-Chlorobenzimidazole C7 H5 Cl1 N2 S TA1059 1832 P -1 A C(10)-Oxygenated ABC-Ring Analogue of C19 H20 Br N O6, 0.5C3 H8 O TA1066 1843 P -1 2-Amino-5-bromopyrimidinium Chloride C4 H5 Br1 N3 1+, Cl 1- S TA1067 1656 P 1 21/c 1 Preferential Coordination of Mercury(II) C17 H24 O5 S2, [Hg Cl2] S AB1303 1543 P -1 1,1-Bis(3',4,4'-trimethyltetrathiafulval C20 H22 O1 S8, 0.5C2 H6 O1 AB1325 1380 P 21/c (Z)-2,3-Bis(4'-[2.2.2]paracyclophanyl)b C52 H52 S AB1325 1380 C 2/c (Z)-2,3-Bis(4'-[2.2.2]paracyclophanyl)b [Ag2 (Sb F6)2 (C52 H52) ] , C7 H8 , C H2 Cl2 S AB1326 1546 P 1 21/n 1 N,N-Dibenzoyl-2-phenylbenzylamine C27 H21 N O2 S AB1332 1384 P21/n 1,4-Bis(4'-[2.2.2]paracyclophanyl)buta- [Ag2 (Sb F6)2 (C52 H46) ] , 2C H2 Cl2 S AB1336 1348 P -1 Tetrakis(diphenylamido-N)hafnium [Hf (C12 H10 N1)4] S AB1354 1401 R-3 Tris(1,4,7,10-tetraoxa-13,16-dithiacyclo [Ru (C12 H24 O4 S2)3](P F6)2, 2H2 O1, C1 H4 O1 S AS1222 1507 P -1 p-Nitrobenzaldehyde Nicotinoylhydrazone C13 H10 N4 O3,H2 O1 S BK1198 1570 P21/c (Tosyliminoiodo)benzene at 298K C13 H12 I N O2 S S BK1209 1523 P -1 Cyclohexane-Linked Indenyl Rings in C26 H32 Si2 BM1023 1530 P 21/n New Routes to Pyranotetrahydrofuran Deri C12 H20 O2 S BM1053 1392 P -1 Tetraaquabis(3,5-dinitrobenzoato-O)cobal [Co (C7 H3 N2 O6)2 (H2 O)4], 4H2 O BR1117 1333 P n m a Hexaiododisilane Si2 I6 S BR1122 1319 P 1 21/n 1 The Covert water in the Structure of Sr( Sr (Re O4)2 , 2H2 O BR1127 1331 P -3 m 1 PdTe~2~ Pd Te2 S BR1129 1323 P 4/n m m A Novel Intermetallic Compound, CeCu~ Ce Cu0.71 Bi2 BR1130 1326 P 21/n Two Hydrous Divalent-Metal Diarsenates Mg2 As2 O7 , 2H2 O none BR1130 1326 P 21/n Two Hydrous Divalent-Metal Diarsenates Zn2 As2 O7 , 2H2 O none BR1131 1334 P 21/n K~2~MoO~2~As~2~O~7~ K2 Mo O2 As2 O7 S BR1133 1338 P -1 Ba~3~[V~10~O~28~].19H~2~O Ba3 [V10 O28 ], 19H2 O CF1046 1466 P 21/a 1,3-Adamantanedicarboxylic Acid and 1,3- C12 H16 O4 S CF1046 1466 P 21/a 1,3-Adamantanedicarboxylic Acid and 1,3- C14 H20 O4 S CF1048 1424 P 1 21/c 1 Diphenyltin Diiodide [Sn I2 (C6 H5)2] CF1050 1533 P -1 Bis(2-nitrophenyl) Trisulfide C12 H8 N2 O4 S3 CF1058 1514 P 21/c Flurtamone C18 H14 F3 N O2 CF1066 1344 P 21/n Potassium Phthalimide K 1+, C8 H4 N1 O2 1- S DE1007 1556 P 1 21/c 1 8-(4-Methylphenoxy)-16H-dinaphtho[2,1-d: C28 H21 O3 P S DE1008 1491 P b c a 7-Methoxyvasicinone C12 H12 N2 O3, H2 O1 S DE1018 1563 P b c a N-Acetyl-3-ethyl-2-phenyldecahydroquinol C19 H25 N O2 DU1143 1342 C 2/c 4,9-Diazonia-1,12-dodecanediammonium Di (C10 H30 N4) [Li2 (P6 O18)], 4H2 O S FG1076 1449 P -1 Cerium 3,5-Dinitrobenzoate Dihydrate [Ce2 (C~7~H~3~N~2~O~6~)~6~(H~2~O)~4~] FG1105 1565 P 21/c Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl) C17 H16 N2 O6 S FG1105 1565 P 21/c Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl) C19 H20 N2 O6 S FG1107 1359 P -1 Bis{[3-(diphenylphosphino)propyl]trimeth [Rh (C18 H25 P2)2 (C7 H8)] (B1 F4)3 S FG1109 1503 C 2/c [1,3]Dithiolo[4,5-b][1]benzothiophene-2- C9 H4 S4 FG1125 1512 P 21/c 3-Aminopyrazine-2-carboxylic Acid C5 H5 N3 O2 FG1130 1482 P 21/n Two P2~1~/n Monoclinic Phases of Fluor C14 H10 O2 FG1130 1482 P 21/n Two P2~1~/n Monoclinic Phases of Fluor C14 H10 O2 FG1132 1426 C 2/c catena-Poly[silver-\m-(di-2-pyridyl keto [Ag (C11 H8 N2 O)] , (B F4) FG1139 1535 P 21/c 1-Carboxyfluorenone: an Intramolecularly C14 H8 O3 FG1141 1362 P 21/n A Monoclinic Form of Tetrakis(1-methylim [Pt (C4 H6 N2)4] (Cl1 O4)2 S FG1144 1336 C 2/m A Reinvestigation of \b-Gallium Oxide \b-Ga2 O3 FG1149 1377 P -1 trans-Tetrachlorobis(triphenylphosphine- [Re Cl4 (C18 H15 P)2]0.86, [Re Cl3 O(C18 H15 P)2]0 FG1153 1572 P 21/a Clemizole C19 H20 Cl N3 FG1161 1355 P n m a Dioxo(\h^5^-pentamethylcyclopentadienyl) [W O2 (C10 H15) (C4 H11 Si)] HA1148 1499 P -1 Two Mesogenic Nitrobenzoxazoles C29 H26 N2 O8 HA1148 1499 P -1 Two Mesogenic Nitrobenzoxazoles C29 H26 N2 O8 HA1154 1454 P 1 21/n 1 3-Nitroacetophenone C8 H7 N O3 S HA1155 1516 P 1 21/c 1 Four \w-Phthalimidoaliphatic Peracids C11 H9 N O5 S HA1155 1516 P -1 Four \w-Phthalimidoaliphatic Peracids C12 H11 N O5 S HA1155 1516 P 1 21/c 1 Four \w-Phthalimidoaliphatic Peracids C14 H15 N O5 S HR1052 1399 P -1 tert-Butylbis(dimethylglyoximato-N,N')(t [Rh (C4 H7 N2 O2)2 (C4 H9)(C18 H15 P1)] JZ1026 1496 P 1 21/n 1 Methyl C13 H14 N2 O3 S JZ1065 1412 P -1 Bis(2-amino-4-chloromethylthiazolium) T (C4 H6 Cl N2 S)2 [Cu Cl4] S JZ1065 1412 P -1 Bis(2-amino-4-chloromethylthiazolium) T (C4 H7 N2 S)2 [Cu Cl4] S JZ1065 1412 P -1 Bis(2-amino-4-chloromethylthiazolium) T 2(C4 H7 N2 S1 +),Cu1 Cl4 2- S JZ1066 1329 P 42/n m c Yttrium and Titanium Bismuthates Bi7.5 Y0.5 O12 JZ1066 1329 P 42/n m c Yttrium and Titanium Bismuthates Bi7.68 Ti0.32 O12.16 JZ1068 1473 P 21/c One Bicyclic \b-Lactam and Two Bicycli C10 H14 Cl N O3 JZ1068 1473 P 21/a One Bicyclic \b-Lactam and Two Bicycli C11 H16 Cl N O3 JZ1068 1473 P 21/n One Bicyclic \b-Lactam and Two Bicycli C13 H19 N O3 JZ1096 1375 P -1 mer-[2'-(2-Benzoyl-1-methylethylidene)-1 [Mo O2 (C21 H16 N2 O2) O2 (C H4 O)] JZ1099 1350 P 1 21/n 1 [Li~2~(\m3-^t^-Bu~2~P)(\m~2~-^t^-Bu~2~P [Li4 (C8 H18 P)4 (C4 H8 O)2] , C6 H14 S JZ1103 1554 P21/c 1,3-Dicyclohexyl-2,4-bis(cyclohexylimi C26 H44 N4 S JZ1106 1410 P 21/n Bis(pyridine-2,3-dicarboxylato-N,O)coppe [Cu (C7 H5 N1 O4)2] KA1153 1441 P 1 21/n 1 Five New Chlorochromates(VI) of Organic (C10 H10 N2) [Cr O3 Cl]2 KA1153 1441 P 1 21/c 1 Five New Chlorochromates(VI) of Organic (C10 H10 N) [Cr O3 Cl] KA1153 1441 P -1 Five New Chlorochromates(VI) of Organic (C10 H10 N) [Cr O3 Cl] KA1153 1441 P 1 21/n 1 Five New Chlorochromates(VI) of Organic (C2 H10 N2) (Cl) [Cr O3 Cl] KA1153 1441 P 1 21/n 1 Five New Chlorochromates(VI) of Organic (C10 H9 Cl N3) [Cr O3 Cl] KA1157 1415 P -1 Disodium [N,N'-(1,3-Propanediyl)bis(oxam Na2 [Cu (C7 H6 N2 O6)], 6H2 O1 S KA1166 1539 R -3 Comparison of the Geometries of C29 H33 N3 S KA1166 1539 P -1 Comparison of the Geometries of C29 H33 N3 S KA1166 1539 P b c a Comparison of the Geometries of C22 H26 N2 O1 S KH1073 1371 P -1 [(N,N-Dimethylthiocarbamoylthioacetato]t [Sn1 (C5 H8 N1 O2 S2) (C1 H3)3] S KH1075 1373 P 21/n [3-(Diethylphosphono)propionato]tripheny [Sn (C7 H14 O5 P) (C6 H5)3] S KH1076 1365 C2/c 2-Triphenylstannyl-1,2-benzisothiazol-3 [Sn(C6 H5)3 (C7 H4 N O3 S)(C18 H15 O P)] S KH1077 1367 P-1 Butyldichlorophenyltin-1,2-Bis(diphenyl [Sn Cl2(C4 H9)(C6 H5)(C26 H24 O2 P2)] S KH1078 1369 P 21/n Diisopropylammonium (Mercaptoacetato-S, (C6 H16 N)[Sn(C2 H2 O2 S)(C6 H5)3] S LI1142 1579 P 1 21/a 1 A Key Intermediate in the Synthesis of ( C14 H23 N O3 A S C MU1223 1509 P21/c A 1:2 Host--Guest Complex of Diaza-15-cr C10 H24 N2 O3 2+ , 2C6 H2 N3 O7 - S MU1238 1352 P -1 Pentacarbonyl[tris(2-methoxyphenyl)phosp [Cr (C21 H21 O3 P1) (C1 O1)5] S MU1238 1352 P 21/n Pentacarbonyl[tris(2-methoxyphenyl)phosp [Mo (C21 H21 O3 P1) (C1 O1)5] S MU1242 1403 P 21/n Bis[1-hydroxy-2(1H)-pyridinethionato-O,S [Pd1 (C5 H4 N1 O1 S1)2] S NA1146 1405 P 21/n Dibromo-[N-(2-pyridylmethylidene)-2-py [Cu Br2 (C12 H11 N3)] S NA1179 1423 P 1 21/n 1 A Biologically Active Gold Complex: [Au Cl3 (C6 H7 N O)] S NA1208 1346 I 41/a Tetrakis[(\m~3~-2-methyl-5-thienyl)tetra [Li (C5 H5 S) (C4 H10 O)] S NA1209 1357 P 1 21/n 1 The First \m~4~-Se Spiro-Type Fe~4~Se~3~ [Fe4 Se (C7 H7 Se)2 (C O)12] NA1216 1438 P -1 Disodium Na2 [Eu (C22 H26 N3 O11)(H2 O1)], 1.5H2 O1 S PA1186 1430 P 1 21/c 1 Les Compos\'es de la Metformine avec les [Co (C4 H12 N5) Cl3] PA1186 1430 P 1 21/n 1 Les Compos\'es de la Metformine avec les [Cu Cl2 (C4 H11 N5)] PA1186 1430 P 1 1 21/n Les Compos\'es de la Metformine avec les [Cu (C4 H11 N5)2]Cl2 , 2H2 O PA1186 1430 C 1 2/c 1 Les Compos\'es de la Metformine avec les [Ni (C4 H11 N5)2] (Cl) (O H) PA1202 1537 C2/c Photochromic Pyrido-Annelated 2,2-Dimeth C14 H13 N O , H2 O PA1215 1462 P 21/c 1-Phenyl-4-imidazolidinone (Z)-Oxime C9 H11 N3 O1 SK1011 1421 P 1 21/c 1 {2-[Bis(1-methyl-2-benzimidazolylmethyl) [Cu Cl (C20 H23 N5 O)] Cl , (H2 O) SZ1031 1388 P 1 21/n 1 [(CO)H(PPh~3~)~2~-arachno-OsB~3~H~8~] Os (B3 H8) (H) (CO) (C18 H15 P)2] SZ1045 1520 P -1 (+-)-2-Oxocyclododecaneacetic Acid: Str C14 H24 O3 TA1040 1589 P 21/c (2\a,5\a)-1,5,6,9,9-Pentabromo-7-methoxy C12 H11 Br5 O2 TA1060 1418 P 21/n A Chloro-Bridged Dinuclear Copper(II) Ca [Cu2 Cl (Cl1 O4)2 (C17 H34 N4)2] (Cl O4) S TA1087 1428 C 2/c Polymeric [p-(2-Hydroxy-5-methylphenylaz [Sn (C14 H11 N2 O3) (C1 H3)3]n AB1228 570 P-1 Sodium Tetraphenylcyclopentadienide Bis( Na + , C29 H21 - , 2C4 H10 O2 S AB1229 553 C 2/c trans-Bis[N-(4-bromophenyl)salicylaldimi [Co1 (C13 H9 Br1 N1 O1)2] S AB1272 622 C 2/c Lithium Croconate Dihydrate 2Li + , C5 O5 2- , 2H2 O1 AB1281 575 C 1 2/c 1 Double and Triple Interpenetrations of t [Cd {Ni (C N )4 }(C2 H7 N O )(C5 H14 N2 )] AB1281 575 C 1 2/c 1 Double and Triple Interpenetrations of t [Cd {Ni (C N )4 }(C2 H7 N O )(C6 H16 N2 )], H2 O AB1296 722 P 21/n 1,3-Dicyclopropyl-2-(1,2,3-triphenylcycl C30 H26 O2 S AB1302 672 P 21/n 1,3-Bis(2,5-dihydro-5,5-dimethyl-2-oxo-1 C17 H22 N2 O4 S AB1314 615 P-1 Diaquadioxobis(pyridine-3-carboxylato)ur [U O2 (C6 H4 N O2)2 (H2 O)2] S AB1330 609 P 21/c Trifluoromethyl(triphenylphopsphine)gol [Au (C F3) (C18 H15 P)] S AB1333 619 P -1 Tris(triphenylsilanolato)arsenite(III) [As (C18 H15 O Si)3] S AB1335 548 P -1 5,5-Bis(dimethylphenylphosphine)-4,6-dit [Pd (B6 H8 S2) (C8 H11 P)2] S AS1175 506 P 21/n Tetrakis(triethylammonium) Octamolybdate (C6 H16 N1)4 [Mo8 O26], 2H2 O1 S AS1185 630 P 1 21/c 1 Tetraethylammonium Tris(pyridine-2-thiol (C8 H20 N1)[Co (C5 H4 N1 S1)3] AS1189 716 P -1 ap-8-Chloro-1,4-dimethyl-9-(2-methylbenz C30 H25 Cl S AS1189 716 P 21/a ap-8-Chloro-1,4-dimethyl-9-(2-methylbenz C30 H25 Cl1 S AS1201 600 P 21/c Ferrocenium Tetrachloroantimonate [Fe (C5 H5)2] [Sb Cl4] S AS1203 591 P -1 The Polymeric Cadmium Complex [Cd Br (C6 H4 N1 O2) (H2 O)] AS1205 674 P 21/n Methyl trans-9,10-Dihydro-9,10-ethanoant C18 H16 O2 S AS1207 656 P 21/c 1-Cyclohexyl-3-phenylthiourea C13 H18 N2 S S AS1210 679 P b c a Coumarin 343, C~16~H~15~NO~4~ C16 H15 N O4 AS1211 677 C 1 2/c 1 A de novo Designed Possible 5-Lipoxygena C22 H29 N1 O3 S AS1215 660 P -1 Ethyl and Butyl 4-[4-(4-n-Octyloxybenzoy C33 H39 N1 O5 S AS1218 663 P 21/c Xanthurenic Acid Monohydrate C10 H7 N1 O4, H2 O1 BK1108 724 P -1 Hexaazatriphenylenehexacarboxamide Solva C18 H12 N12 O6,2(C2 H6 O1 S1),0.5(H2 O1) BK1159 585 P -1 (Ethanol)-(2,3,7,8,12,13,17,18-octaethyl [Mn (C36 H44 N4)(C2 H6 O)] Cl O4 S BM1020 568 P -1 Tetrakis[\m-(3-bromobenzoato)-\m-(2-dime [Cu4 (C7 H4 Br1 O2)4 (C4 H10 N1 O1)4] BM1026 593 P 1 21/n 1 Poly[bis(p-nitrosalicylato-O:O')disilver [Ag2 (C7 H4 N1 O5)2] BM1033 583 C 2/c Bis(\m-diphenylphosphinato-O:O')bis(dime [Al2 (C12 H10 O2 P)2 (C H3)4] BM1041 720 P 21/c Redetermination of 4,5-Di(benzoylthio)-4 C17 H10 O2 S5 S BR1108 491 P 1 21/c 1 Mercury(II) Hydrogenselenite Selenite Hg3 (HSeO3)2 (SeO3)2 BR1126 502 F m -3 m Cadmium Hexacyanoiridate(III) Dodecahydr Cd3 [Ir(C N)6]2 , 12H2 O CF1002 624 P b c n Bis(3-methyl-1,3-thiazolinylidene)gold(I [Au (C4 H5 N1 S1)2] C1 F3 S1 O3 CF1026 711 P 1 21/c 1 Bis(2-biphenyl) Telluride C24 H18 Te S CR1169 665 P -1 3,4-Diphenylpyrrole-2,5-dicarboxylic Aci C18 H13 N O4 , 2C2 H4 O2 CR1200 581 C 1 2/c 1 Monoclinic Form of [Cu(C~10~H~24~N~4~) [Cu (C10 H24 N4)] Cu Cl4 CR1204 705 P 21/c Ethyl C12 H13 Cl1 N4 O5 CR1205 658 P 1 21/n 1 A Rigid Bis-Bidentate Bridging Ligand: 1 C26 H18 N4 CR1207 640 P 21/n A Holmium(III) `Carbons-Adjacent' Carbor [Li (C6 H16 N2)2][Li2 (C6 H16 N2)2 {Ho Cl2 (C8 H22 S DE1011 707 P -1 The Hemi-adduct of Bis(diethyldithiocarb C15 H24 N3 S4 Te DE1014 700 C 1 2/c 1 6'-Diethylamino-2'-methylaminospiro[isob C25 H24 N2 O3 DU1123 505 P -1 Manganese Ethylenediammonium Bis(sulfate (C2 H10 N2)[Mn(S O4)2 (H2 O)4] S DU1138 637 P n m a Lithium Tetraphenylborate.2thf.2H~2~O [Li (C4 H8 O1)2 (H2 O1)2] (C24 H20 B) S DU1141 512 P 21/n A New Decavanadate Dihydrate Templated b (C2 H10 N2)3 [V10 O28], 2H2 O1 S DU1142 500 P 1 21/n 1 La~2~LiMoO~6~ La2 Li Mo O6 FG1065 543 P -1 Nickel(II) Bis(d-campholyl-l-campholylme [Ni1 (C21 H35 O2)2] S FG1097 516 P 21/n Chloro(propionyl-C)[2(1H)-pyridonato-N,O [Ir Cl (C3 H5 O) (C5 H4 N O) (C9 H21 P)2] S FG1110 617 P -1 Tetrakis(triethylammonium) Hexakis(isoth (C6 H16 N1)4[Ni1 (N1 C1 S1)6] S FG1133 652 P 21/c 2,2'-Methylenebis(5,5-dimethyl-1,3,2-dio C11 H22 O6 P2 S HA1145 703 P -1 Narceine Hydrochloride Trihydrate C23 H28 N1 O8 +,Cl1 -,3(H2 O1) S HU1051 525 P 1 21/n 1 Carbonyl(\h^4^-1,3-cyclohexadiene)[(\h^5 [Mo (C8 H12 N1)(C6 H8)(C1 O1)] P1 F6 HU1074 739 P -1 cis,trans-4,5-Diphenyl-1,3,2-dioxathiola C14 H12 O3 S S HU1074 739 P 21/a cis,trans-4,5-Diphenyl-1,3,2-dioxathiola C14 H12 O3 S S HU1080 611 C 1 2/c 1 [Au(PPh~3~)~2~]^+^[BF~4~]^-^ [Au (C18 H15 P)2] B F4 HU1129 545 P 21/n [Re(NNPh)(NNHPh){2-S-C~5~H~3~N-3-Si(CH~3 S JZ1077 597 P21/n Bis(cyclooctatetraenyl)neptunium(IV) [Np (C~8~H~8~)~2~] JZ1079 605 P 21/n Mixed-Ligand Complexes of Technetium. XI [Tc Cl2 (N C S) (C8 H11 P)3)] S JZ1080 529 P 2/n Polymeric Cadmium(II) Nitrate Adduct of [Cd2 (C12 H24 N2 O4)2 (N O3)2 (H2 O)3] (N O3)2 S JZ1086 644 P -1 The First Structure of a Vicinal (E)-Fl C10 H20 F Se 1+, C6 H2 N3 O7 1- S KA1130 532 P-1 Isothiocyanatobis(1,10-phenanthroline)co [Cu (N C S) (C12 H8 N2)2] [C (C N)3] S KA1142 493 P b c a Hydrazinium(1+) Hexafluorogallate(III) a (N2 H6)[Ga F5 (H2 O)] KA1147 675 P 21/c 5-Methyl-2-thiophenecarboxylic Acid C6 H6 O2 S1 S KH1048 628 P 1 21/n 1 A Dimeric Copper(II) Complex of an \a-Hy [Cu (C14 H8 O3) (C9 H7 N) (H2 O)]2 , 2C3 H7 N O , KH1053 687 P -1 Methyl 3-(RS)-Hydroxy-4-[(RS)-2,3,4,5- C13 H22 O5 KH1054 526 P -1 Cadmium(II) Chloride Adduct with an Olef [Cd3 Cl6 (C2 H6 O)2 (H2 O )4] , C18 H20 N4 O4 , H KH1055 607 P 1 21/c 1 Trimethyl(1-methyl-4-phenylpiperazine-N^ [Al (C1 H3)3 (C11 H16 N2)] KH1059 588 P n m a Bis(2-methyl-4-nitroanilinium) Tetrachlo (C7 H9 N2 O2)2 [Cd1 Cl4] KH1069 514 P 1 21/a 1 Tetrakis(dimethyl sulfoxide-O)copper(I [Cu (C2 H6 O S)4] , 2Cl O4 S LI1138 731 P -1 Hydrogen Bonding in 2-Methyl-1,2,3-propa C7 H10 O6 S LI1138 731 C 2/c Hydrogen Bonding in 2-Methyl-1,2,3-propa N H4 1+, C6 H7 O6 1-, 1/2H2 O1 S LI1138 731 P -1 Hydrogen Bonding in 2-Methyl-1,2,3-propa 4N1 H4 1+, C8 H6 O8 4-, H2 O1 S LI1140 654 P 21/c The Zinc--Acetic Anhydride Reduction of C15 H15 N1 O2 MU1183 550 P 1 21/c 1 Bromo[tris(2-cyanoethyl)phosphine]gold(I [Au1 Br1 (C9 H12 N3 P1)] MU1191 539 P 1 21/n 1 (2-Thioxo-1,3-dithiole-4,5-dithiolato)(N [Ni (C3 S5)(C6 H16 N2)] MU1195 578 P -1 [{(C~5~Me~4~H)Fe(C~5~Me~4~)CH~2~C~5~H~4~ [Fe (C24 H31 Fe)2] (C6 N4) (C8 N5) MU1211 519 P -1 Bis[O-(4-methylcyclohexyl) dithiocarbona [Ni (C8 H13 O S2)2] MU1213 521 P 1 21/n 1 (4,5-Diazafluoren-9-one-N^4^,N^5^)bis(O- [Ni (C3 H5 O S2)2 (C11 H6 N2 O)] MU1214 523 P 1 21/c 1 (2,9-Dimethyl-1,10-phenanthroline-N^1^,N [Ni (C3 H5 O S2)2 (C14 H12 N2)] MU1217 602 C 2/c Diaqua[2,6-diacetylpyridine bis(thiosemi [Mn (C11 H15 N7 S2) (H2 O)2] (Cl O4)2 S NA1183 635 P -1 Bromo(N,N-dibutyl-N'-phenylthiourea-S)bi [Cu Br (C15 H24 N2 S)(C18 H15 P)2] NA1199 626 C 1 2/c 1 Dichlorobis(1-methylcytosine)copper(II) [Cu Cl2 (C5 H7 N3 O)2] NA1200 613 P 1 21/n 1 Tricarbonyl(\h^6^-1-tetralol)chr [Cr (C O)3 (C10 H12 O)] OH1085 498 P b c n Strontium Metaborate, SrB~2~O~4~ Sr B2 O4 OH1088 496 P m m n Cu~3~Er(SeO~3~)~2~O~2~Cl, the Erbium A Cu3 Er1 (SeO3)2 O2 Cl1 PA1199 736 P -1 3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1 C27 H32 N4 O2 PA1199 736 P -1 3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1 C28 H34 N4 O2 PA1203 595 P -1 Tricarbonyl(\h^6^-3-methyl-2-vinylbenzoi [Cr (C O)3 (C10 H10 O2)] PA1205 632 P -1 A Bis(6-methyl-2-pyridinemethyl) Thioeth [Cu (C F3 O3 S)2 (C14 H16 N2 S)],C H2 Cl2 SX1010 559 P b c a Chlorobis(\h^5^-cyclopentadienyl)metho [Ti Cl (C5 H5)2 (C H3 O)] SZ1015 684 P -1 Hydrogen-Bonding Pattern of a \b-Keto A C15 H16 O3 SZ1035 667 P -1 Diethyl (1-Hydroxy-2-butynyl)phosphonate C8 H15 O4 P TA1044 541 P 21/c [N,N'-Bis(2-aminoethyl-\kN)-N,N'-bis(2-a [Pt (C10 H30 N6)][Pt Cl4]2, 3H2 O1 TA1050 535 P b c a Chloro(\h^5^-cyclopentadienyl)(triphenyl [Ni Cl (C5 H5) (C18 H15 P1)] TA1052 537 P 21/n Bis(N,N-cyclo-heptamethylenedithiocarbam [Pt (C8 H14 N1 S2)2] AB1300 1091 P 21/c cis-(R,S)-Bis(benzyl methyl sulfoxide)di Pt Cl2 (C8 H10 O S)2] AB1304 1313 P 21/c DL-Glutamine C5 H10 N2 O3 S AB1306 1128 P 21/c Bis(\m-4-hydroxybenzoato-O:O')bis[(N,N-d [Zn2 (C7 H5 O3 )4 (C10 H14 N2 O )2 ], 2H2 O AB1315 1200 P -1 Supramolecular Structure of a Cadmium--S [Ag2 Cd(C N)4(C5 H6 N2)2] , 2[Ag2 Cd (C N)4(C5 H6 AB1319 1318 P -1 Addendum to N-(2-furfuryl)-\a-cyano-2-fu C13 H10 N2 O3 S AB1337 1169 P 21/n Bis[(2-hydroxyethyl)dimethylammonium] Bi (C4 H12 N O)2 [U4 O10 (C2 H3 O2)4 (C4 H10 N O)2] S AB1348 1134 P b a m A Copper(II) Complex of a Macrocyclic Sc [Cu Cl (H2 O) (C17 H25 N3 O3)] P F6 , C H3 C N S BK1121 1106 P 21/c Two Monomeric Ruthenium Complexes Conta [Ru Cl (C5 H5 ) (C25 H22 P2 )], C H Cl3 BK1121 1106 P 21/c Two Monomeric Ruthenium Complexes Conta [Ru Cl (C5 H5 )(C26 H24 P2 )], C H Cl3 BK1127 1119 C 2/c Diamminebis[dimethylglyoximato(1-) Co (C4 H7 N2 O2)2 (N H3)2] B F4 BK1127 1119 C 2/c Diamminebis[dimethylglyoximato(1-) [Co (C4 H7 N2 O2)2 (N H3)2] Cl O4 BK1148 1207 P 1 21/n 1 (1Z,3Z)-1,4-Diphenyl-1,4-bis(3-chloroph C30 H24 Cl2 S2 BK1150 1259 P b c a cis-(+-)-3-Acetoxy-2-(4-methoxyphenyl)-4 C18 H17 N O5 S S BK1156 1223 P b c a cis-8,10-Di-n-propyllobelidiol Hydrochlo C16 H34 N O2 + , Cl - , 2H2 O BK1166 1236 P 21/n 4,4-Dibenzyl-1,4-dihydroisoquinoline C23 H21 N BK1191 1269 P -1 Bis(pyridinium) Pamoate 2C5 H6 N + , C23 H14 O6 2- BK1192 1131 P 21/n Copper and Manganese Sulfanilate Hydrate [Cu (C6 H6 N1 O3 S1)2(H2 O1)2], 2H2 O1 BK1192 1131 P 21/c Copper and Manganese Sulfanilate Hydrate [Mn (C6 H6 N1 O3 S1)2 (H2 O1)2] BK1194 1188 P -1 Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyc (C14 H36 N6) [Cd Cl4]2 S BK1202 1098 P 21/m [(\h^5^-C~5~Me~5~)~2~Mo~2~(\m~2~-I)~4~]^ [Mo2 (C10 H15)2 I4] [Fe I4] , [Mo2 (C10 H15)2 I4 BM1024 1243 P -1 Structural Aspects of the Transposition C14 H22 O5 BM1024 1243 P b c a Structural Aspects of the Transposition C12 H16 O4 BM1036 1125 P -1 Redetermination of a Copper(II) Complex [Cu1 (C4 H2 N3 O4)2 (H2 O1)2], 2H2 O1 BM1038 1204 P -1 Tris(2-sulfidoopyridine N-oxide-O,S'chro Cr (C5 H4 N O S)3] , C3 H6 O BM1042 1293 P -1 3-(4-Methoxyphenoxy)-1,2-benzisothiazole C14 H11 N O4 S BR1113 1067 P 1 21/c 1 Copper-Zinc Oxide Catalysts. Part III. S [Zn(NH~3~)~3~][Cu(CN)~2~]~2~ S BR1119 1070 P 1 21/c 1 Mercury(II) Selenite Hemihydrate Hg2 (SeO3 )2 , H2 O BR1136 1072 P 1 21/n 1 Amminemercury(II) Selenite [Hg (N H3 )]Se O3 CF1021 1282 C 2/c Chiral \a-Hydroxy Acids: Racemic 2-Hydro C7 H14 O3 , 0.5 H2 O CF1021 1282 P 21/c Chiral \a-Hydroxy Acids: Racemic 2-Hydro C6 H14 O3 Si CF1023 1117 P 21/c Chlorotris(triphenylphosphine)copper(I) [Cu Cl (C18 H15 P1)3], C4 H8 O1 S CF1027 1171 P -1 Isomorphous Polymeric Complexes of Ca^2+ [Ca (C15 H10 N O3)2 (H2 O)2] S CF1027 1171 P -1 Isomorphous Polymeric Complexes of Ca^2+ [Pb (C15 H10 N1 O3)2 (H2 O1)2] S CF1038 1261 P 21/a n-Undecylammonium Chloride Monohydrate C11 H26 N 1+,Cl 1-, H2 O1 CF1040 1209 C 1 2/c 1 (+-)-(3aR*,6S*,7S*,14aR*)-2,3,3a,7,8,9,1 C17 H24 O2 CF1054 1211 P n m a 3,5-Dichloro-2,6-dimethoxycyclohexa-2, C8 H6 Cl2 O4 S CF1060 1239 P 21/c [3-(4-Chlorophenyl)-5-methylthio-4,5-dih C12 H11 Cl N2 O1 S S CR1142 1281 P n m a A New Analogue of Nifurtimox C7 H5 N5 O3 CR1198 1122 P 1 21/n 1 Redetermination of [Cu~5~Cl~10~(n-C~3~H~ [Cu5 Cl10 (C3 H8 O1)2] DE1019 1250 P 21/n S-[(Dicyclohexylamino)(phenyl)(1-pyrroli C22 H35 N6 P1 S3 S DE1024 1124 C 2/c Diaquabis(5-isonitrosobarbiturato)cobalt [Co1 (C4 H2 N3 O4)2 (H2 O)2], 2H2 O DU1130 1198 P 1 21/b m-Anisidinium Dihydrogenmonoarsenate C7 H10 N O +,H2 As O4 - S DU1140 1230 P -1 3-M\'esityl-6-m\'ethyl-7-m\'ethylthio-4- C22 H22 N4 O S FG1014 1110 P 1 21/c 1 Tricarbonyl(\h^5^-2,4-dimethylpentadieny [Fe (C7 H11) (CO)3] B1 F4 FG1063 1184 P -1 (Acridine)trimethylgallium--Acridine (2/ [Ga (C1 H3)3 (C13 H9 N1)], 0.5C13 H9 N1 FG1108 1248 P 21/n 2,3,6,7-Tetrakis(methylthio)benzo[b]thio C12 H14 S5 FG1124 1115 P 21/c mer-{Bis[dimethyl(diphenylphosphinomethy [Ir (H)2 I1 (C30 H37 N P2 Si2)] FG1136 1137 P -1 Bis[bis(2-benzimidazol-2-ylethyl) sulfid [Ni (C18 H18 N4 S)2] (N O3)2 S FG1138 1241 P 21/c Redetermination of Octahydrochrysene C18 H20 FG1147 1113 P 21/c Bis-\m-hydroxo-bis[(benzyl)(nitrosyl-N)( [Mo2 (OH)2 (NO)2 (C7 H7)2 (C10 H15)2] HA1153 1218 P 21/c 1,1-Diamino-2,2-dicyanoethene C4 H4 N4 HU1105 1177 P c a b Structures of Chromium(III) Cyclam Com [Cr (O H)(H2 O) (C10 H24 N4)]Br2 , H2 O1 JZ1057 1061 A2/a Rb~3~H(SeO~4~)~2~ at 4 K by Neutron Powd Rb3 H (Se O4)2 JZ1076 1288 P 21/n Hydrogen Bonding versus van der Wa C15 H36 N3 O3 3+ , 3I - , 1.5H2 O S JZ1104 1080 P -1 [1,1'-Bis(methylphenylphosphino)ferrocen [Fe Pd (C5 H7 O2) (C12 H12 P)2] B F4 JZ1107 1174 C 2/c Tris(1,10-phenanthroline)ruthenium(II) Ru (C12 H8 N2)3] (P F6)2 S JZ1111 1182 P21/c Benzyllithium tert-Butyl Methyl Etherate [Li (C7 H7) (C5 H12 O)] S KA1135 1154 C2/c Bis(N-benzyl-2-hydroxy-1-naphthaldiminat [Ni (C18 H14 N O)2 S KA1148 1257 P 21/n 4-Hydroxyantipyrine C11 H12 N2 O2 S KA1163 1139 P 21/c Hexakis(N,N-dimethylformamide)nickel(II) [Ni (C3 H7 N O)6](Cl O4)2 S KA1167 1255 P 21/a Ethyl p-Methoxycinnamate from Kaempferia C12 H14 O3 none KA1172 1096 P b c n Bis(benzoato-O,O')bis(nicotinamide-N)cop [Cu1 (C7 H5 O2)2 (C6 H6 N2 O)2] S KH1051 1161 P 1 21/n 1 Chloro(ethanedithioamide-S)bis(triphenyl [Ag Cl (C2 H4 N2 S2) (C18 H15 P)2] KH1058 1166 P21/c Bis(N,N-dimethylformamide)(pyrocatechola [Li (C6 H5 O2 )(C3 H7 N O )2 ] S KH1068 1093 P m c n (Isothiocyanato)[(1RS,4RS,8SR,11SR)-1,4, [Cu1 (N C S) (C10 H24 N4)](S C N) LI1141 1298 P b c a Synthesis and Relative Configuration of C7 H12 O5 S MU1204 1141 C 2/c Bis[N-(4-chlorobenzilydene)-2-mercaptoa [Ni (C13 H9 Cl N S)2] MU1212 1157 C c c a trans-Bis(O-ethyl dithiocarbonato-S,S')b [Ni (C3 H5 O S2)2 (C9 H7 N)2] MU1218 1077 P -1 [N(CH~3~)~4~]~2~[Co~2~Mo~6~O~12~(OH)~4~ (C4 H12 N)2 [H8 Co2 Mo6 O32 P4] , 5H2 O MU1220 1143 P -1 Bis[methyl-N^\b^-(4-methoxyphenylmethyle [Ni (C10 H11 N2 O S2)2] S MU1222 1148 P -1 Bis(1,4-dimethylpyridinium) Bis(maleonit (C7 H10 N)2 [Ni(C4 N2 S2)2] S MU1225 1285 P c c n N-Phenyl-4-morpholinecarbothioamide and C12 H16 N2 O S S MU1231 1150 P 21/c cis-Bis(2-methyl-8-quinolinolato-N,O)dio [Mo (C10 H8 N1 O1)2 (O)2] S MU1233 1152 P -1 Bis[4-(4-dimethylaminostyryl)-N-methylpy (C16 H19 N2)2 [Ni (C4 N2 S2)2] S MU1234 1082 P 2/c A 1:4 Adduct of Tetrachlorobis(\m-phenyl [Zr2 Cl4 (C6 H5 N1)2 (C4 H8 O1)4] S MU1235 1164 P -1 Bis(tetraphenylphosphonium) Tetrachlorod (C24 H20 P1)2 [U1 O2 Cl4], C1 H2 Cl2 NA1202 1190 P -1 The \b Form of the Macrocyclic Complex [ [Eu (N C S)3 (C22 H26 N6)] S NA1204 1084 P 21/n Tricarbonyl(cyclopentadienyl)(selenotri [W (C5 H5) (C18 H15 P Se) (C O)3] (Cl O4) S NA1206 1277 P 21/c Pyrrolo-Annellated Carbazoles as Potenti C18 H17 N1 O5 OH1090 1063 P 4/m m m CsLaNb~2~O~7~ Cs La Nb2 O7 PA1135 1186 P n m a Diammine(dimethylmalonato)platinum(II) M [Pt (C5 H6 O4) (N H3)2] , H2 O PA1212 1232 P n m a Structure-Based Rationalization of the C16 H23 N3 O4 PA1214 1226 P 21/n 3,3-Bis(2-imidazolyl)propionic Acid Hem 2C9 H10 N4 O2 , H2 O PT1031 1228 P -1 4-Methoxyphenyl 2-Nitrophenyl Sulfide C13 H11 N O3 S PT1036 1089 P 21/c Di-\m-isocyanato-bis[isocyanato(1,10-phe [Cu2 (NCO)4 (C12 H8 N2)2] SZ1018 1101 P 1 21/n 1 Two Forms of Bromo(cycloheptatrienyliden Pt Br (C7 H6)(C18 H15 P)2] B F4 , C D2 Cl2 , C4 D8 TA1049 1105 P b c a trans-Tetrakis(acetonitrile)dichlororuth [Ru Cl2 (C2 H3 N)4] TA1054 1075 P -1 Tris(piperizinium) Octamolybdate, [C~4~H (C4 H12 N2)3 [Mo8 O27] VJ1033 1238 P 1 21/n 1 Anti-Cancer Agents. I. N,N,N',N'-Tetraa C14 H24 N2 O4 AB1365 2896 P -1 2-Hydroxy-1,4-naphthoquinone C10 H6 O3 S AB1375 2705 C 2/c [N-(2-Mercaptophenyl)-2-hydroxynaphthald [Ni (C17 H11 N O S) (C5 H5 N)] S AB1379 2887 P -1 Octakis(3,5-dimethylphenylthio)naphthale C74 H72 S8 AB1382 2814 P -1 Two C-Unsubstituted Enaminals C9 H17 N O S AB1382 2814 P b c a Two C-Unsubstituted Enaminals C12 H13 N O S AB1385 2890 P1 21/c 1 Diethyl 3-Piperidino-2,7-cycloheptadiene C18 H27 N O4 AB1386 2676 P 1 21/n 1 Bis[4-(5-chloro-2-hydroxyphenyl-imino-N, [Cu2 (C11 H10 Cl1 N1 O2 )2] AB1387 2689 P b c m catena-Poly[[(diethylenetriamine-N,N',N' [Cu (C4 H4 O4) (C4 H13 N3)] S AB1390 2811 C 1 2/c 1 3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3, C23 H26 N2 O4 S AB1408 2710 P -1 3-Chloro-3,3-bis(triphenylphosphine-P)-1 [Rh Cl (C2 H11 B9) (C18 H15 P)2] , 1.1C H2 Cl2 S BK1152 2844 P -1 Three 1,4-Trans-Substituted Cyclohexan C12 H16 F4 O4 BK1152 2844 C 1 2/c 1 Three 1,4-Trans-Substituted Cyclohexan C10 H14 F6 BK1152 2844 P 1 21/n 1 Three 1,4-Trans-Substituted Cyclohexan C10 H12 F8 BK1180 2740 P 21/c Aquatris(2,6-difluorobenzoato)praseodymi [Pr (C7 H3 F2 O2)3 (H2 O)] S BK1225 2924 P -1 Tris[2-(2-methoxyethoxy)phenyl]phosphin C27 H33 O7 P, H2 O BK1232 2868 P 21/n p-Nitroaniline--3,5-Dinitromethyl Salicy C6 H6 N2 O2, C8 H6 N2 O7 BK1237 2859 P 21/a Methyl Triphenylphosphoranylideneacetate C21 H19 O2 P BK1244 2927 C 1 2/m 1 Torturing the 7-Oxabicyclo[2.2.1]hepta C6 H8 O2 BK1249 2849 P 21/n (8R,8aS)-Indolizidine-1-spiro-2'-(1',3' C12 H18 N2 S2 BK1253 2862 P 21/n 2-Naphthoic Acid at 153 K C11 H8 O2 BK1254 2707 P -1 Chloro(2,3,7,8,12,13,17,18-octaethylporp [Ga (C36 H44 N4) Cl1] , 1.45C H2 Cl2 S BK1280 2945 P b c a (Z)-2-(Benzoyl-aci-nitro)-2-phenylaceton C15 H10 N2 O3 S BM0002 2789 P 1 21/n 1 (2,4-Dinitrophenyl)(10-methyl-3-phenothi C19 H13 N5 O4 S , 0.5C H4 O BM1065 2724 P -1 (Dimercaptomethylenepropanedinitrilato-S [Pd (C4 N2 S2) (C5 H5 N) (C18 H15 P)] BM1070 2716 P 21/c Ammonium, Potassium and Lithium Salts of N1 H4 +, C3 H5 O4 - S BM1070 2716 P 21/c Ammonium, Potassium and Lithium Salts of K1 +, C3 H5 O4 1- S BM1070 2716 P 21/n Ammonium, Potassium and Lithium Salts of Li1 +, C3 H5 O4 1- S BM1080 2894 P b c a 5-Phenylindazole C13 H10 N2 none BM1081 2720 P -1 Acid Salts of Phosphoenolpyruvic Acid (H Na 1+ , C6 H9 O12 P2 1- , 2H2 O S BM1081 2720 P 21/n Acid Salts of Phosphoenolpyruvic Acid (H K 1+ , C3 H4 O6 P1 1- , C3 H5 O6 P1 S BM1083 2917 P 1 21/c 1 Two Polymorphic Forms of 3-Hydroxy-2-met C6 H6 O3 S BM1087 2747 P 21/a An Unexpected Trimethylstannylpyrrole f [Sn (C H3)3 (C22 H20 N O3)] S BM1093 2678 P 1 21/c 1 Poly[bis(3,5-dinitrobenzoato-O^1^:O^2^)d [Ag~2~(C~7~H~3~N~2~O~6~)~2~] BR1145 2652 I 4/m m m A New Quaternary Borocarbide, GdRh~2~ Gd Rh2 B2 C BR1147 2662 P 1 21/c 1 K~2~Be~2~Si~3~O~9~, a Potassium Berylli K2 Be2 Si3 O9 S CF1069 2682 P b c a (Diethylamine-N){4-methyl-2-[(2-oxidoben [Ni (C14 H11 N O2) (C4 H11 N)] CF1071 2745 C 2/c Dicyano (2,9-Dimethyl-1,10-phenanthrolin [Pt (C N)2 (C2 H4) (C14 H12 N2)] CF1083 0 P b c a A Potential Antiprotozoal Drug Containin C22 H23 Cl N4 O S3 S CF1092 2878 P 21/n 2-(p-Diethylaminobenzylidene)-1,3-indand C20 H19 N O2 S CF1093 2920 P -1 2,2-Dimethyl-6-nitro-3,4-dihydro-2H-benz C18 H16 N2 O5 CF1115 2775 P 21/n The Acetyl Derivative of a Novel Fries C26 H18 O8 S CF1127 2851 P21/n 9-Dicyclohexylphenylphosphino-arachno-6- C18 H38 B9 P S CF1129 2818 P n m a 4-Methyl-1,2,4-triazole and 1-Methyltetr C3 H5 N3 CF1129 2818 P n m a 4-Methyl-1,2,4-triazole and 1-Methyltetr C2 H4 N4 DE1027 2873 P 1 21/c 1 Dalspinosin C18 H16 O7 S DE1033 2726 P 21/n 1-Hydroxy-2,1\l^5^-benzoxarsol-3-one Mon C7 H5 As1 O3, H2 O1 S DU1132 2802 P -1 Bis(o-aminoph\'enylammonium) Bis(o-ph\' 2C6 H9 N2 + , 2C6 H10 N2 2+ , P6 O18 6-, 2H2 O S DU1154 2660 I 41/a c d The First Beryllium Periodate: Be(H~4~IO Be(H4 I O6)2, 4H2 O S FG1122 2936 P c c n cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyc C29 H22 O3 FG1146 2771 P 1 21/c 1 3-Benzyl-5-(2-fluorobenzylidene)imidazol C17 H13 F N2 O2 S FG1192 2826 P 21/n A Triphenylboroxin Derivative Possessing C27 H33 B3 N6 O3 FG1204 2847 P 21/c \a,\a'-Bis(2-pyridylseleno)-p-xylene C18 H16 N2 Se2 S FG1218 2757 P 1 21/c 1 (SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-tol [Fe (C13 H13 O2 S) (C5 H5)] FG1221 2781 P 21/n A Sulfoximidooxirane C16 H17 N O4 S2 HA1165 2882 C 2/c 1,1'-Diacetyl-2,2'-biimidazole C10 H10 N4 O2 S HR1024 2687 P 1 21/c 1 Aqua(1,5,8,12-tetramethyl-1,4,8,11- [Cu (C14 H32 N4 ) (H2 O ) ] (Cl O4)2 JZ1109 2734 P 1 21/n 1 Tris-{2-[(4-chlorophenyl)iminomethyl]p [Co (C11 H8 Cl N2)3] JZ1123 2650 P 2~1~/n Tetracarbonyl(tetraphosphorus hexaoxide) [Fe (C1 O1)4 (P4 O6)] S JZ1129 2703 P 1 2/n 1 Bis[(1,2,5,6-\h)-1,5-cyclooctadiene]di-\ [Rh2 (C2 H5 O)2 (C8 H12)2] S JZ1134 2701 P -1 Photochemical Reactions of Transition Me [Mo2 (H)(C9 H6)(C9 H7)(C4 H6)(C O)3] S JZ1138 2810 P 21/n 1,3-Bis(2,6-diisopropylphenyl)-2,2,4,4-t C28 H46 N2 Si2 S KA1196 2841 P -1 Balancing Conjugational Stabilization an C16 H17 N O S S KA1202 2943 P 21/c 4(5)-(p-Methoxyphenylazo)-2-methylimidaz C11 H12 N4 O1 S KA1206 2807 P b c a Two Nitro-\a-methoxy-trans-chalcones C16 H13 N O4 S KA1206 2807 P -1 Two Nitro-\a-methoxy-trans-chalcones C16 H13 N1 O4 S KH1098 2768 P -1 Chloro[N,N'-ethylenebis(3-imino-1-phenyl [Mn Cl (C22 H22 N2 O2)] KH1100 2857 P21/c C~38~H~54~N~3~O~9~P. A New Compound in C38 H54 N3 O9 P1 S KH1103 2736 P 1 21/c 1 7-Methyladeninium Trichloro(7-methylad (C6 H8 N5) [Zn Cl3 (C6 H7 N5)] , H2 O KH1105 2785 P -1 3-[1,2-Dicarba-closo-dodecacarboranyl(me C10 H17 B10 N O S KH1107 2693 P 21/c Hexaaquacobalt(II) [Co (H2 O)6] [Co (C11 H14 N2 O9)]2 S KH1111 2691 P 21/c [1,3-Bis(diphenylphosphino)propane-P,P'] [Pd (C3 H6 S2) (C27 H26 P2)] , C H3 C N KH1114 2696 P b c n [N,N'-Bis(2-thiobenzenylidene)-1,2-dime [Ni (C22 H18 N2 S2)] LI1148 2772 P 21/c (Z)-1-(Dichloro-p-methoxyphenyltelluro)- C21 H18 Cl2 O S Te S MD1004 2671 P 42/n m c Bis(tetraethylammonium) Tetrachlorometal (C8 H20 N)2 , [Hg Cl4] S MD1004 2671 P 42/n m c Bis(tetraethylammonium) Tetrachlorometal (C8 H20 N)2 , [Cd Cl4] S MD1004 2671 P 42/n m c Bis(tetraethylammonium) Tetrachlorometal (C8 H20 N)2 , [Zn Cl4] S MU1236 2763 P b c a Aqua(3,5-dimethylpyrazole)(N-salicyliden [Cu (C9 H7 N1 O2) (C5 H8 N2) (H2 O)] S MU1240 2760 P 21/c Hydrogen Bis[(8-quinolinol-N)(8-quinolin [Ag2 H (C9 H6 N1 O1)2 (C9 H7 N1 O1)2 (C18 H15 P)2] S MU1250 2908 P 21/c 2-(2-Thioxo-1,3-thiazolidin-3-yl)-4,5-di C6 H9 N2 S3 1+,Cl 1- S MU1261 2910 P -1 2-(7,9-Diphenylcyclopenta[a]acenaphthadi C35 H26 O1 S MU1265 2750 P 21/c N-Chloro(methyl)arsino-N,N'-dimethyl-N'- C11 H16 As Cl N2 O S S MU1271 2738 C 2/c Bis(pyridine-2-thione)-2\kS;3\kS-tetra-\ [Cu2 Mo S4 (C5 H5 N S)2 (C18 H15 P)2], 2CH2 Cl2 MU1275 2680 P -1 Bis[N-(2,6-dimethylphenyl)aminoglyoximat [Ni (C10 H12 N3 O2)2] MU1285 2698 P 21/c A Dinuclear Nickel(II) Compound: [Ni2 (N O3)2 (C30 H48 N10) (H2 O)2 ] (N O3)2 , 2C S NA1233 2754 P 1 21/n 1 Triple-Decker [Cp*Fe(C~8~H~6~)Fe(C~8~H~7 [Fe2 (C8 H7) (C10 H15) (C8 H6)] S NA1241 2832 P 21/n 2-(2,5-Dichlorophenylhydrazono)glutaric C11 H10 Cl2 N2 O4 S NA1241 2832 P -1 2-(2,5-Dichlorophenylhydrazono)glutaric C11 H10 Cl2 N2 O4 S NA1246 2915 P 21/n N-[2-(1-Hydrazonoethyl)-3-benzofuranyl]- C17 H17 N3 O3 S1 NA1254 2742 P 21/c Dichloro[N,N'-ethylenebis(3-tert-butyl-5 [Ti Cl2 (C26 H34 N2 O2)] S NA1255 2793 P 1 21/n 1 1,7-Dimethyl-5-phenyl-2-(3-thenoylaminom C23 H24 N3 O1 S1 1+, Cl1 1- S NA1257 2713 P 1 21/n 1 (4-Nitrophenyl 1,3,5,8,12-pentaazocyclot [Cu (C16 H26 N6 O3)] (N O3)2 OA1001 2655 P -1 Na~8~H~18~[{Er~3~O(OH)~3~(H~2~O)~3~}~2~A Na8 H18[{Er3 O(OH)3 (H2 O)3}2 Al2(Nb6 O19)5], 40.5 PA1233 2729 C 2/c Caesium Iodide Complex of 1,3-Calix[4]-b [Cs2 I2 (C40 H60 O12)] , 2C2 H3 N PA1240 2837 P 21/c A Highly Strained Tertiary Acetate: 2,2' C21 H30 O2 PT1008 2797 P 21/n Two Photoproducts Derived from C32 H24 O4, 0.5C1 H4 O PT1008 2797 P b c a Two Photoproducts Derived from C33 H28 O5 SK1004 2665 C 2/c Reinvestigation of Crystalline Sulfuric H2 S O4 S SK1004 2665 P 21/c Reinvestigation of Crystalline Sulfuric (H3 O)(H S O4) S SK1016 2880 C 2/c 3-(4-Nitrobenzyloximino)hexahydroazepin- C13 H15 N3 O4 S SK1040 2912 P b c a cis-Aconitic Acid at 150 K C6 H6 O6 S SX1003 2875 P -1 Acetoxylmethyl 4-Chloro-N-furfuryl-5-sul C15 H15 Cl N2 O7 S S SZ1007 2752 P -1 A \m-Oxamidato-Bridged Dinuclear Copper [Cu2 (C6 H12 N4 O2) (C8 H6 N2)2 (H2 O)2] (Cl O4)2 SZ1023 2800 P 21/n The Photoproduct Derived from 9-Cyanodib C31 H19 N1 O2 TA1008 2787 P -1 Studies on Condensed Heterocyclic Compou C21 H16 N4 S TA1057 2731 P-1 A Mixed-Metal Pentanuclear Complex Co [Cu3 Ni2 I3 (C14 H28 N2 S2)2] , 2C H3 C N TA1074 2766 P 1 21/n 1 mer-Triaqua(chloranilato-O,O')chloroiron [Fe Cl (C6 Cl2 O4) (H2 O1)3], 5H2 O1 S TA1075 2791 P 1 21/c 1 A Pyridine-2,6(1H,3H)-dione Alkaloid C10 H13 N O5 TA1096 2865 P b c a 2-Methyl-3-phenyl-2,5-dihydro-1,2,4-tria C10 H11 N3 O, C H4 O S TA1096 2865 P 21/n 2-Methyl-3-phenyl-2,5-dihydro-1,2,4-tria C10 H11 N3 O S TA1098 2783 P b c a trans-4-tert-Butylcyclohexyl 2,4-Dinitr C16 H22 N2 O5 S S TA1103 2883 P 21/n Methyl 2-Benzoyloxy-3-oxo-3-phenylprop C17 H14 O5 S AB1205 2476 C 1 2/c 1 Sodium 1-Naphthylamine-6-sulphonate-W Na 1+ , C10 H8 N O3 S1 1- , 4H2 O AB1316 2543 P 1 21/c 1 3-(2-Chlorophenyl)-1-(2-naphthyl)-2-prop C19 H13 Cl O AB1327 2422 P 1 21/c 1 2,2'-Biphenylbis(\h-cyclopentadienyl)tit [Ti (C5 H5)2 (C12 H8)] AB1345 2619 P 21/a Diclofenac Salts. IV. C6 H16 N O3 1+, C14 H10 Cl2 N O2 1- S AB1358 2443 C 1 2/c 1 An Adduct of Magnesium Sulfate with a Me S AB1364 2580 P 21/m Trimethylsulfonium Bromide C3 H9 S 1+, Br 1- AB1367 2622 P b c a Four Simple Pyridazin-3(2H)-ones C5 H6 N2 O S AB1367 2622 P 1 21/c 1 Four Simple Pyridazin-3(2H)-ones C5 H6 N2 O, H2 O S AB1367 2622 P n m a Four Simple Pyridazin-3(2H)-ones C5 H8 N2 O2 S AB1367 2622 P 1 21/c 1 Four Simple Pyridazin-3(2H)-ones C11 H10 N2 O S AB1371 2470 P 21/n trans-Bis(benzoato-O,O')bis(N,N-diethyln [Cu (C7 H5 O2)2 (C10 H14 N2 O)2] AB1397 2545 P 21/c (\m~2~-Pinacolato-O,O')-bis(pinacolat C18 H36 B2 O6 AB1402 2548 P 21/n Conformational Flexibility in N-Benzyl C14 H12 N2 O3 AB1402 2548 P 21/n Conformational Flexibility in N-Benzyl C14 H12 N2 O3 AB1404 2524 C 2/c Hydrogen-Bonded Chains in 4,4'-Dihydroxy C13 H10 O3 , C10 H8 N2 S AB1404 2524 P 21/a Hydrogen-Bonded Chains in 4,4'-Dihydroxy 2C6 H6 O3 , 3C10 H8 N2 S BK1153 2595 P b c n cis-(+-)-[5-(2-Dimethylamino)ethyl]-3-hy C20 H24 N2 O3 S1 S BK1195 2571 P 1 21/c 1 Triphenyl(tetrahydrofuranyl)boron C22 H23 B O BK1222 2513 P 21/n An Intercalating Isoxazole C21 H17 N O3 S BK1228 2419 P 21/c Silver(I) Complex of 4,4'-Dicyanodipheny [Ag2 (F2 O2 P)2 (C16 H8 N2)] S BK1243 2561 P-1 rel-(1R,6S,7S,8R,9S)-9-Methyl-8-phenyl-6 C26 H31 N O3 S BK1245 2638 C 2/c Fluorene-9-carboxylic acid C14 H10 O2 BK1246 2460 P21/c A Diphenylcyclopropene Complex of Tung [W Cl2 O (C15 H12) (C13 H13 P)2] S BK1258 2588 C 2/m 2,2'-Bi(1H-imidazolium) Dichloride C6 H8 N4 2+ , 2Cl - S BM1075 2569 P 2 1/n N-(1-Methyl-2-pyrrolidinylidene-p-tolue C12 H16 N2 O2 S BM1076 2468 P 21/n trans-Bis(methylamine-N)bis(1-methylcyto [Pt (C H5 N)2 (C5 H7 N3 O)2] [Tl Cl4]2 BM1088 2578 P -1 Maleimide C4 H3 N O2 S BR1140 2389 P b c n LaMo~8~O~14~ La Mo8 O14 S BR1142 2384 I 4/m m m CsAg~0.64~Mn~1.18~Te~2~ Cs Ag0.64 Mn1.18 Te2 S CF1004 2607 P 21/n 3-Hexanoyl-1-tosylindole. A Highly Stere C21 H23 N1 O3 S1 S CF1056 2434 P b c a Bis(N-2-propylsalicylideneamino-N,O)coba [Co (C10 H12 N O)2] CF1064 2436 P -1 Aquabis(p-nitrosalicylato-O,O')lead(II) [Pb (C7 H4 N O5)2 (H2 O)] CF1070 2575 P 21/c 3,4,5,6-Tetra-O-benzyl-cis-1,2-O-cyclohe C40 H44 O6 S CF1094 2586 C 2/c trans- and cis-2,5-Dimethoxy-3,6-dipheny C18 H18 N2 O2 S CF1094 2586 P b c a trans- and cis-2,5-Dimethoxy-3,6-dipheny C18 H18 N2 O2 S CF1103 2463 P 21/c cis-Dichloro(triethylphosphine-P)[tris(2 [Pt Cl2 (C18 H9 F6 O3 P) (C6 H15 P)] S CF1110 2520 P -1 Multiple Hydrogen Bonds in Pyridine-2,6- C7 H9 N1 O2 S DE1036 2609 P 21/n 3,4,6,7,9,10-Hexahydro-3,3,6,6-tetrameth C26 H31 N O4 S DU1155 2385 P b c a A New Europium Borosilicate, Eu~3~BSi~2~ Eu3 B1 Si2 O10 FG1114 2416 I 2/a [Ag2 (C F3 O3 S)2 (C8 H4 N2)2 (H2 O)] S FG1114 2416 C m c a [Ag2 (C8 H4 N2)2 (H2 O)2] (P F6)2 S FG1117 2450 P -1 A New Allotropic Form of trans-Dichlor [Pt Cl2 (C4 H7 N3 O)2] , 2H2 O S FG1123 2445 P -1 Tris(tetraphenylphosphonium) Decatelluri (C24 H20 P)3 [Ta Te10], C3 H7 N O FG1143 2452 C 2/c (Tetrahydrofuran-O)bis(\h^5^-1,2,4-triis [Sr (C14 H23)2 (C4 H8 O)] FG1145 2486 C2/c (Tetraphenylporphyrinato)hafnium(IV) Dia [Hf (C2 H3 O2)2 (C44 H28 N4)] , C H3 C N FG1160 2457 P -1 Aqua(2,2'-bipyridyl-N,N')(thiodiacetato- [Zn (C4 H4 O4 S1) (C10 H8 N2) (H2 O)] , 4H2 O S FG1166 2636 P 21/n 1,1'-Diketone and 1,1'-Dinitrile Derivat C12 H14 N4 O2 S FG1166 2636 P 21/c 1,1'-Diketone and 1,1'-Dinitrile Derivat C10 H8 N6 S FG1172 2515 P -1 Monospiroaryloxyphosphazenes: p-Fluoroph C30 H20 F4 N3 O6 P3 S FG1172 2515 P b c a Monospiroaryloxyphosphazenes: p-Fluoroph C34 H22 F4 N3 O6 P3 S FG1175 2633 P n m a Maltol Hydrochloride C6 H7 O3 1+, Cl 1- S FG1176 2612 C 2 / c (E)-2-Acetylcinnamic Acid: Hydrogen-Bond C11 H10 O3 FG1184 2396 P -1 Derivatives of Bis(diphenylphosphino)di C25 H20 F2 P2 S2 S FG1195 2402 P 21/c Chlorobis(\h^5^-methylcyclopentadienyl)( [Ti Cl (C6 F5) (C6 H7)2] S FG1200 2404 P 21/n 1,5-Diferrocenylnaphthalene [Fe2 (C5 H5)2 (C20 H14)] S HA1162 2552 P21/a 6-(4-Methoxyphenyl)thieno[2,3-d][1,3]dit C12 H8 O S4 S HU1107 2627 P 1 21/c 1 3,5-Diamino-6-(2-bromophenyl)-1,2,4-tria C9 H8 Br1 N5, 2C1 H4 O1 JZ1122 2454 P 21/n Dicaesium Ethyltrimethylammonium Heptaph 2Cs + , C5 H14 N + , P7 3- , 2(N H3) S KA1143 2425 P 21/c Bis(1,2-di-4-pyridylethane-N:N']cadmium( [Cd1 (C12 H12 N2)2][Ni (C N)4], 2C8 H10 KA1185 2573 P 21/c A reinvestigation of the Quinoidal Effec C14 H15 N O KA1187 2429 P-1 Tetrakis(creatinine)platinum(II) Dithioc [Pt (C4 H7 N3 O)4] (S C N)2 KA1203 2409 P 21/n Addition of Methanol to Copper(II)-Coord [Cu(C4 H4 N3 O2)(C2 N3)(C10 H8 N2)] S KA1208 2590 P 1 21/n 1 1,2-[3,4-Dihydro-2-(4-methoxyphenyl)-2H- C69 H9 N O, C S2 S KH1067 2582 C 1 2/c 1 2,2',5,5'-Tetrachlorobiphenyl (PCB 52) C12 H6 Cl4 KH1082 2448 P 21/n A Divanadium(III) Complex Bridged by Cl^ [V2 Cl5 (OH) (C4 H8 O1)4], C4 H8 O1 KH1083 2484 P -1 A Methoxycarbonyl Substituted [Mo2 (C7 H7 O2)2 (C3 H9 P1 O3)2 (C1 O1)4] KH1086 2387 P -1 KGaAs~2~O~7~ K Ga As2 O7 KH1099 2427 P -1 trans-Tetraaquabis(N,N',N''-tricyanomela [Co (C6 H2 N9)2 (H2 O)4], 6H2 O1 S LI1144 2507 P 21/a (+-)-3-Formyl-1-methyl-2-(2-phenylethyl) C17 H20 O3 S LI1147 2510 P 21/n 2-(1-Hydroxy-4,4-dimethyl-2-oxobutyl)-4- C18 H18 O4 S NA1230 2414 P 21/c Bis(\h^5^-hydropentalenyl)iron [Fe(C~8~H~7~)~2~] S NA1235 2531 P 1 21/m 1 1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3 C11 H11 F N2 S S NA1239 2432 P 1 21/c Molecular Adducts of Inorganic Salts. VI Cd (Re O4)2 , 4C H4 N2 S NA1245 2533 P 21/c 1-[3,5-Bis(trifluoromethyl)phenyl]-1H,3H C17 H10 F6 N2 S S OH1097 2381 P b a m Redetermination of the Structure of La~2 La2 Cu2 O5 OH1097 2381 P b a m Redetermination of the Structure of La~2 La2 Cu2 O5 PA1226 2583 P 1 21/c 1 \a,\a,\a,2,3,4,5,6-Octafluoroacetanilide C8 H1 F8 N1 O1 S SK1017 2631 P b c n Diethyl 2,5-Dihydroxyterephthalate at 20 C12 H14 O6 S SK1020 2538 P -1 Hydrogen Bonding in the 2,2'-Bipyridiniu C10 H9 N2 + , 1/2C10 H4 O8 2- , 1/2C10 H6 O8 S SK1023 2480 P -1 Triclinic Form of Tetraaqua(orotato-N,O) [Mg (C5 H2 N2 O4) (H2 O)4] , H2 O S SK1027 2439 P -1 Bis[(\m-2,6-diphenylphenoxido)diethylgal [Ga2 (C18 H13 O1)2 (C2 H5)4] S SK1028 2441 P -1 A Second Triclinic Polymorph of [Ni1 (C10 H18 S4)2] S SK1029 2541 P 21/n 3,4-Bis(1,3-benzothiazol-2-yl)furan C18 H10 N2 O S2 S SZ1028 2493 P 1 21/a 1 [(CpTi)~6~(\m~3~-Te)~6~(\m~3~-O)~2~] [{Ti (C5 H5)}6 Te6 (O)2] AB1339 2301 P-1 4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-ph C13 H12 N2 O5 S AB1346 2221 P21/n Redetermination of 1,7-Diphenyl-1,7-dica C14 H20 B10 AB1350 2223 P 1 21/n 1 1-Diisopropylphosphino-2-phenyl-1,2-dica C14 H29 B10 P AS1220 2166 P 1 21/c 1 Copper(II) and Nickel(II) Complexes with [Cu (C20 H40 N4)] Cl2 , 2H2 O AS1220 2166 P 1 21/c 1 Copper(II) and Nickel(II) Complexes with [Ni (C20 H40 N4)] Cl2 , 2H2 O BK1151 2349 P 1 21/n 1 C~20~H~10~F~8~, a Divinyl Acetylene C20 H10 F8 BK1218 2320 C 2/c Biphenyl-3-carboxylic Acid at 296 and 20 C13 H10 O2 BK1218 2320 C 2/c Biphenyl-3-carboxylic Acid at 296 and 20 C13 H10 O2 BK1230 2283 P 21/n 2,4,6-Tri-O-benzyl-myo-inositol C27 H30 O6 BK1238 2148 C 2/c The AsF~6~^-^ Salt of a 1,2-Dithia-4-a C16 H14 N S2 +, As F6 - BM1017 2274 P 1 21/c 1 The Charge-Transfer Complex C14 H13 N O , C8 Cl2 N2 O2 BM1052 2178 P 1 21/n 1 (Cyclohexylamine-N){2-[(2-thiophenyl)imi [Ni(C13 H9 N1 O1 S1)(C6 H13 N1)] BM1059 2343 P -1 O-Acetyl-N-(o-hydroxybenzyl)-N-isopropyl C12 H17 N O3 BM1067 2281 P 21/c 1-(4-Chlorophenyl)-3a-methyl-5-phenyl- C23 H18 Cl1 N3 O1 BM1077 2180 P 1 21/n 1 [N-(2-Amino-\kN-ethyl)piperaziniumyl-N^1 [In Cl4 (C6 H16 N3)] BM1078 2294 P 21/c [3-(4-Methylphenyl)-5-isoxazolyl]aceto C12 H10 N2 O S BM1082 2157 P 21/c Tris(N,N-diethyldithiocarbamato-S,S')(th [Mo (C5 H10 N1 S2)3 (N S)] S BR1112 2125 C 2/m Nd~4~V~5~Si~4~O~22~ Nd4 V5 Si4 O22 BR1125 2132 P b c a Rietveld Refinement of the Orthorhombi Rb2 Cd Si5 O12 BR1125 2132 P b c a Rietveld Refinement of the Orthorhombi Cs2 Mn Si5 O12 BR1125 2132 P b c a Rietveld Refinement of the Orthorhombi Cs2 Co Si5 O12 BR1125 2132 P b c a Rietveld Refinement of the Orthorhombi Cs2 Ni Si5 O12 BR1139 2129 P n n m Tricaesium Ditellurium Tetravanadium Chl (Cs Cl) Cs2 (Te V2 O7)2 S BR1141 0 P 21/c The Hydrogen-Bonding System in Deutera Cu Si F6 , 4D2 O BR1144 2127 P n m a The Binary Hafnium Phosphide Hf~3~P~2~ Hf3 P2 S CF1065 2150 P-1 Bis[methyl N^\b^-(4-dimethylaminophenylm [Ni (C11 H14 N3 S2)2] S CF1076 2191 C 2/c Bis(nitrato-O,O')bis{2-[2-(2-thienyl)eth [Co (N O3)2 (C11 H7 N S)2] S CF1078 2311 P -1 A Substituted cis,trans,cis,cis-[4.5.5.5 C14 H18 O2 S CF1088 2168 C 2/c Diiodobis(\h^5^-trimethylsilylcyclopent [Ti I2 (C8 H13 Si)2] S DE1030 2298 P 21/n 2,10-Dichloro-6-(2,4-dimethylphenoxy)dib C20 H15 Cl2 O3 P S2 S DU1151 2246 P -1 N,N,N',N'-Tetramethylethylenediammonium C6 H18 N2 2+, H2 P2 O7 2-, 2H2 O1 S DU1152 2248 P -1 Tris(1,4-butanediyldiammonium) Bis(cyclo 3C4 H14 N2 2+, 2P3 O9 3-, 4H2 O1 S DU1153 2250 P -1 1,6-Hexanediammonium cyclo-hexaphosphate 3C6 H18 N2 2+, P6 O18 6-, 6H2 O1 S FG1111 2176 C 2/c catena-Poly[{di-\m-nitrato-1:2\k^4^O-bis [Cu2 (N O3)2(C18 H15 P)2(C10 H8 N2)], 2C4 H8 O1 S FG1158 2198 P 21/n Monosodium 4-Amino-1-hydroxy-1,1-butaned Na 1+, C4 H12 N1 O7 P2 1-, 3H2 O S FG1171 2372 P 2~1~/n 2-Carboxy- and 2,7-Dicarboxy-4,5-benzot C13 H8 O5 FG1178 2359 P b c a The Anhydrous Racemate of the Carcinost C7 H15 Cl2 N2 O2 P S FG1178 2359 P 21/n The Anhydrous Racemate of the Carcinost C7 H14 Cl N2 O2 P S FG1180 2367 P -1 Acetone 4,4-Dimethyl-5-oxo-2-pyrazolin-3 C8 H14 N4 O FG1187 2193 P 21/c Bis[1,2-bis(diphenylphosphino)ethane-P,P [Os Cl (C26 H24 P2)2] P F6, 1.5C H2 Cl2 FG1188 2337 P 21/n Racemic C42 H36 N6 O4 FG1189 2347 P 21/c 9,10,12,14-Tetrahydro-12,12,14,14-tetrap C42 H30 O FG1191 2145 P 21/c A 3:1 Disordered Solid Solution of [Mo2 (C H3 O)8 (O)2]0.75 , [Mo2 Cl2 (C H3 O)6 (O)2 HA1150 2159 P -1 (4-Chlorobenzenethiolato-S)(\h^5^-cyclop [Ni (C6 H4 Cl S) (C5 H5) (C18 H15 P)] HA1157 2323 P 1 21/n 1 N-Saccharinperacetic Acid Monohydrate an C9 H7 N1 O6 S1, H2 O1 S HA1157 2323 P -1 N-Saccharinperacetic Acid Monohydrate an C12 H13 N1 O5 S1, H2 O1 S HA1163 2313 P n m a 3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a C13 H15 Br2 N O2 HU1140 2307 P 1 21/n 1 Isopropylamidinium Chloride C4 H11 N2 + , Cl - JZ1117 2253 P -1 A Dihydrooxazinone C16 H25 N O4 JZ1119 2161 P 1 21/c 1 An Mo~2~(CO)~4~ (Mo\\tb Mo) Fragment Sta [Mo (C O)2 {Co (C5 H5) (C2 H6 O3 P)3}]2 JZ1125 2155 P b c n trans-Dichlorotetrakis(pyridine-N)molybd [Mo Cl2 (C5 H5 N)4] Br3 S KA1154 2334 P 21/n (E)-2,2,5,5-Tetramethyl-3,4-bis[4-(tri C24 H26 Br6 KH1085 2363 P 1 21/a 1 Coumarin 338 C20 H23 N O4 LI1143 2354 P -1 Structures of the Diels--Alder Reaction C18 H24 O2 S LI1146 2296 P21/n Bis[5,5-di(4'-methoxyphenyl)-3,3-dimethy C40 H46 O7 S LI1149 2185 P 21/c Caesium Cs + , C16 H21 O5 - , H2 O S MU1237 2231 P -1 Substituted Imidazonaphthyridine Derivat C19 H14 F3 N3 S MU1237 2231 P -1 Substituted Imidazonaphthyridine Derivat C18 H10 F5 N3 S MU1237 2231 P -1 Substituted Imidazonaphthyridine Derivat C18 H11 Cl F3 N3 S MU1237 2231 P -1 Substituted Imidazonaphthyridine Derivat C18 H11 Br F3 N3 S MU1239 2236 P -1 Substituted Imidazonaphthyridine Derivat C19 H17 N3 O S MU1239 2236 P 21/c Substituted Imidazonaphthyridine Derivat C24 H19 N3 O S MU1241 2239 P -1 Substituted Imidazonaphthyridine Derivat C24 H28 N4 S MU1241 2239 P -1 Substituted Imidazonaphthyridine Derivat C24 H28 N4 O S MU1241 2239 P -1 Substituted Imidazonaphthyridine Derivat C23 H25 Br N4 S MU1249 2326 P 21/n Ammonium Salts of Phosphoglycolic Acid ( N H4 +,C2 H4 O6 P1 - S MU1249 2326 C 2/c Ammonium Salts of Phosphoglycolic Acid ( 3N H4 +,C2 H3 O6 P1 2-,C2 H4 O6 P1 - S MU1249 2326 P 21/c Ammonium Salts of Phosphoglycolic Acid ( 2N H4 + , C2 H3 O6 P1 2- S MU1249 2326 P 21/c Ammonium Salts of Phosphoglycolic Acid ( 3N H4 + , C2 H2 O6 P1 3-, H2 O S MU1252 2183 P -1 Bis(p-aminobenzoic acid-N)dichlorocadmiu [Cd Cl2 (C7 H7 N1 O2)2] MU1254 2153 P 21/n 1,4-Dimethylpyridinium (C7 H10 N) [Cu (C5 H6 S4)2] S MU1256 2243 P b c a Tris(4-chlorophenyl)phosphine and Tris(4 C18 H12 Cl3 P S NA1212 2303 P 1 21/n 1 4,4'-Bis(2,4,6-trimethylbenzenesulfonami C31 H32 N2 O4 S2 NA1215 2216 P n m a Trimethyl[2-(2-methyl-2-propenoyloxy)eth C9 H18 N O2 1+, I 1- NA1225 2356 P b c a Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl) C20 H22 N2 O5 S NA1225 2356 P 21/n Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl) C20 H23 N O2 S NA1231 2370 P b c n Racemic 3,6-Dimethyl-3,6-bis-(tert-butyl C26 H48 O2 Si2 S NA1232 2225 P-1 cis-2-sec-Butyl-4-{4-[4-(4-{[2-(2,4-dich C35 H38 Cl2 N8 O4 S NA1236 2188 P 1 21/n 1 Bis[bis(2-pyridyl-N) sulfide]palladium(I [Pd (C10 H8 N2 S)2] (B F4)2 OA1000 2269 P 1 21/a 1 Half-chair Conformation of C21 H20 O2 PA1223 2207 P 21/c Dibutyl C23 H30 N2 O6 S PA1223 2207 P -1 Dibutyl C23 H30 N2 O6 S PA1223 2207 P 21/n Dibutyl C23 H30 N2 O6 S PA1224 2212 P -1 (E)-6-Chloro-3-[2-(4-chlorophenylsulfony C17 H10 Cl2 O4 S1 PA1224 2212 P -1 (E)-6-Chloro-3-[2-(4-chlorophenylsulfony C17 H10 Br2 O4 S PA1224 2212 C 2/c (E)-6-Chloro-3-[2-(4-chlorophenylsulfony C18 H13 Cl1 O5 S1 PT1014 2377 P 1 21/c 1 Biological Activity of 4-(4-Bromophenyl) C7 H8 Br1 N3 S1 PT1027 2318 P 1 21/c 1 4-(4-Chlorophenyl)-2,6-diphenyl-(4H)-pyr C25 H17 Cl O3 SK1005 2271 P 21/a (1E,3Z,5E)-2,5-Diaza-1,6-bis(dimethylami C10 H14 N6 SK1019 2351 P21/n 1,3,5-Tri-tert-butyl-5-(1,3,5-tri-tert-b C38 H62 O2 S SZ1036 2170 P -1 Tetrakis(2,3,5,6-tetramethylpyrazinium) (C8 H13 N2)4 , [Sb6 I22] , 4H2 O TA1025 2164 P 1 21/n 1 trans-Diazidobis[1,2-bis(diethylphosphin [Fe (N3)2 (C10 H24 P2)2] TA1045 2140 P -1 Sodium Dinitritobis(pyrazine-2-carboxyla Na[Co (C5 H3 N2 O2)2 (N O2)2] TA1046 2141 P 21/c Benzyltrichloro(1,10-phenanthroline-N,N' [Sn Cl3 (C7 H7) (C12 H8 N2)], C6 H6 TA1047 2143 P 21/n Bis(diethylammonium) Tetrachlorodivinyls (C4 H12 N)2[Sn Cl4 (C2 H3)2] TA1073 2290 P 1 21/n 1 Glimepiride C24 H33 N4 O5 S TA1081 2260 P 1 21/n 1 Anticancer and Antifertility Agents. II. C18 H22 N4 O2 TA1084 2345 P 21/c 3-Hydroxyanthranilic Acid Hydrochloride C7 H8 N1 O3 1+, Cl 1- TA1086 2315 P 1 21/n 1 5,15-Diaza-6,16-dihydroxytetrabenzo[b,e, C34 H18 N2 O2 VJ1039 2272 P -1 Coumurrayin C16 H18 O4 S VS1019 2201 C 2/c Bis(acetato-O)bis(pyridine-N)palladium [Pd(C2 H3 O2)2(C5 H5 N)2].H2O S VS1019 2201 P -1 Bis(acetato-O)bis(pyridine-N)palladium [Pd(C2 H3 O2)2(C4 H11 N)2] S AB1287 1024 P 21/c A New Crystalline Form of 1-Phenyl-1,2-d C8 H16 B10 S AB1295 947 P 21/a trans-1,1'-Bis(indenylidene) C18 H12 AB1321 964 P c a b N,N-Dimethyl-2,4-dinitroaniline C8 H9 N3 O4 S AB1331 868 P 21/c A Second Polymorph of 2,2'-Bipyridyl(met [Pd (C H3) (C6 H5) (C10 H8 N2] S AB1344 768 C 2/c Bis[\m-bis(diphenylphosphino)hexane-P:P' [Au2 (C30 H32 P2)2] [Sb F6]2 , 1.6C H3 C N S AB1347 765 P -1 trans-Tetracarbonylbis(tricyclohexylphos [Mo (C O)4 (C18 H33 P)2] S AS1145 942 P -1 A Photoproduct Derived from 9-Benzyl-Sub C37 H26 O2 AS1188 962 P -1 3-(6-Methoxy-2-benzimidazolyl)benzothi C15 H12 N4 O S S AS1194 991 C 2/m 5,10-Diiodo-5,10-dihydroboranthrene C12 H8 B2 I2 AS1198 777 C 1 2/c 1 [Mn~4~^III^(\m~3~-O)~2~(\m-O~2~CMe)~7~(2 [Mn4 O2 (C2 H3 O2)7 (C10 H8 N2)2 ]Cl1 O4 AS1200 951 P -1 Triclinic Form of Dipyrrolidinylthiuram C10 H16 N2 S4 S AS1208 1008 P 21/m Bis(4-methoxyphenyl)methano[60]fullerene C75 H14 O2 AS1212 905 P -1 2,3-Bis(ethylsulfonyl)benzo[b]thiophene C12 H14 O4 S3 BK1041 966 P 1 21/n 1 Energetic Materials: the Big C2 H8 N5 1+, N O3 1- BK1092 1048 P -1 Two Energetic Ionic Materials: the Big C2 H9 N5 2+, 2Cl O4 1- BK1092 1048 P -1 Two Energetic Ionic Materials: the Big C2 H8 N5 1+, Cl1 O4 1- BK1160 871 P 21/c Di-\m-phosphinato-bis[(1,10-phenanthroli [Cu2 (H2 P O2)2 (C12 H8 N2)2](N O3)2 BK1168 931 P 21/n Bis(diphenylphosphino)methane Disulfide C25 H22 P2 S2 S Acta Crystallographica C52 (1996) - Quotes from the text - Marked by Flack_code of C ==================================================================================== Page Ref No Space Molecular Flack_code_and_comment No.s Group Formula 145-148 AB1310 P21 C21H26N2O12 C x = 0.10(13) "It was not possible to determine the absolute configuration of molecules III and IV from the X-ray data, but the absolute configuration of the .. moiety was known from the synthetic work ... " 145-148 AB1310 P21 C21H26N2O11S C x = -0.02(13) - as above 647-648 FG1096 Pna21 C14H8Cl2 HI "The structure with the opposite sense of the polar was refined under identical circumstances, however no significant coordinate shifts ..." Might well be a twin. 691-692 NA1198 P212121 C23H24N3O2Cl MSC x = 0.51(8) "the absolute configuration could 795-797 DE1020 Cc C9H23N2WAgS4O HC no R values given - "absolute configuration" 910-913 DE1010 Pca21 C6H9N2SCl HIC "Full-matrix least-squares refinement of the enantiomer gave R=0.0336" not be determined reliably" 1065-1067 OH1089 F-43m Re4S4Te4 HIC "Refinement of the inversed geometry gave R = 0.048, wR = 0.036 confirming that the absolute configuration chosen here is correct" 1384-1388 AB1332 Fdd2 C52H46 "Absolute Configuration not determined. Flack(1983) parameter indeterminate" Mo K alpha. No opposites. No details obtained from author. 1394-1399 TA1068 C2 Ru2CoCl etc CHNO C "Pseudo-racemic" No Friedel opposites. Crystal might be a twin. 1407-1410 NA1211 C2 CuCl2C10H9N3 n AB - may be a twin - may be centrosymmetric 1579-1581 LI1142 P21/a C14H23NO3 From the text the authors give the impression that they have determined an absolute configuration from the configuration of the asymmetric unit. 1601-1603 BR1128 R3 LiZnPO4 BC "The chirality parameter was not refined as the structure deviates only slightly from centrosymmetry" 1845-1847 KA1180 P21 C15H20N4O4Cl2 C (No comment on agreement between known configuration and x) 2290-2292 PA1227 Pna21 C16H18O3S CS "The absolute configuration was assigned to agree with the known chirality of the sulfoxide group as established by the synthesis of ... and the method described by Flack (1983) was used to confirm the absolute configuration x = 0.33(11) [compared to x = 0.67(11) for the inverted absolute structure]." 2309-2311 SK1006 P21 C6H16NBr C - There is definitely NOT a Sheldrick error here as the authors state having used TWIN/BASF 2554-2556 HA1164 P21 C9H18N4O5 C Low Zmax, Cu radiation, x = -0.2(2) confirmed by having known enantiomer 2982 MU1286 C Comment OK but mention absolute configuration. " and the absolute configuration at these centers is R(Ru)S(S) or S(Ru)R(S)" Acta Crystallographica C51 (1995) ================================= Page Ref No Space Molecular Flack_code_and_comment No.s Group Formula 84-86 AB1199 C2 C7H12O4 MO -0.4(4) establishes the absolute configuration 93-94 PA1118 P212121 C16H20O3S N 94-96 PA1119 P212121 C16H17NO3S N