# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T11:56:56+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica, Section C') AND volume = 51 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000396","9.1546","0.0002","9.1546","0.0002","9.1546","0.0002","90","","90","","90","","767.2","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Zirconium tungstate","","- O8 W2 Zr -","- O8 W2 Zr -","- O32 W8 Zr4 -","4","0.333333","","Auray, M; Quarton, M; Leblanc, M","Zirconium tungstate","Acta Crystallographica C (39,1983-)","1995","51","","2210","2213","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001656","14.192","0.001","6.424","0.001","7.317","0.001","90","","90","","90","","667.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium divanadium(III) oxide diphosphate","","- Ca O9 P2 V2 -","- Ca O9 P2 V2 -","- Ca4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M - M; Raveau, B","Ca V2 O (P O4)2, isotypic with the Cd phase","Acta Crystallographica C (39,1983-)","1995","51","","796","798","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002901","4.515","0.001","9.503","0.003","11.618","0.002","90","","90.33","0.01","90","","498.5","0.2","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Lead diselenite","Lead diselenate(IV)","","- O5 Pb Se2 -","- O5 Pb Se2 -","- O20 Pb4 Se8 -","4","1","AB1172","Jussi Valkonen","Lead Diselenite","Acta Crystallographica Section C","1995","51","1","1","3","10.1107/S0108270194005093","","","0.71073","MoKα","","","0.034","","","0.043","","","","","0.53","0.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002969","21.937","0.008","15.327","0.003","6.924","0.001","90","","90","","90","","2328","2","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002970","8.779","0.002","22.042","0.005","6.043","0.002","90","","90","","90","","1169.3","0.8","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003171","6.4","0.001","10.767","0.001","11.203","0.002","91.62","0.01","91.34","0.02","102.2","0.2","753.9","0.2","295","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N2 O3 -","- C15 H23 N2 O3 -","- C30 H46 N4 O6 -","2","1","KA1059","Tomasz A. Olszak; Piotr H. Sobczynski; Andrzej M. Brzozowski; Mieczyslaw J. Grabowski; Krzysztof Gwozdzinski","Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-Oxide","Acta Crystallographica C","1995","51","1","121","123","10.1107/S0108270194007791","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003175","8.6439","0.0004","19.5142","0.0007","10.5033","0.0004","90","","101.723","0.004","90","","1734.74","0.12","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","PA1117","Piotr K. Olszewski; Katarzyna Stadnicka","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica C","1995","51","1","98","103","10.1107/S0108270194007742","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003180","13.665","0.001","14.68","0.002","19.539","0.002","94.965","0.006","104.131","0.007","90.482","0.008","3784.9","0.7","193","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H11 Cl3 O4 -","- C68 H11 Cl3 O4 -","- C272 H44 Cl12 O16 -","4","2","SE1063","E. F. Paulus; C. Bingel","Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~60~C(CO~2~C~2~H~5~)~2~.CHCl~3~","Acta Crystallographica C","1995","51","1","143","146","10.1107/S0108270194009728","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003182","3.4603","0.0005","6.1972","0.0009","9.548","0.002","90","","103.47","0.01","90","","199.12","0.06","300","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 Ag2 O4 -","- C2 Ag2 O4 -","- C4 Ag4 O8 -","2","0.5","VS1014","Dmitry Yu. Naumov; Alexander V. Virovets; Nina V. Podberezskaya; Elena V. Boldyreva","Silver Oxalate, 2Ag^+^.C~2~O~4~^2-^","Acta Crystallographica C","1995","51","1","60","62","10.1107/S0108270194008188","","","1.54178","CuKα","","","0.0259","","0.0541","0.0519","","","","1.129","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003198","7.058","0.007","18.962","0.007","17.05","0.02","90","","90.92","0.09","90","","2281","2","273.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Cl3 N2 O Re S2 -","- C15 H30 Cl3 N2 O Re S2 -","- C60 H120 Cl12 N8 O4 Re4 S8 -","4","1","FG1012","Trevor W. Hambley; Robert K. Knott; Timothy W. Jackson; Masaharu Kojima; Richard M. Lambrecht","[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)-N,N',S,S']oxorhenium(IV) Chloroform Solvate","Acta Crystallographica C","1995","51","2","203","205","10.1107/S0108270194007651","","","0.7109","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003201","11.061","0.001","12.171","0.001","14.334","0.002","95.2","0.008","92.094","0.009","105.191","0.008","1851","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)","","- C43 H37 Br P2 Pd -","- C43 H37 Br P2 Pd -","- C86 H74 Br2 P4 Pd2 -","2","1","HA1125","Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.","trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults","Acta Crystallographica Section C","1995","51","2","208","210","10.1107/S0108270194009042","","","0.71073","MoKα","","","0.051","","","0.054","","","","","1.7","1.7","","","","","has coordinates","175111","2020-10-21","18:00:00",""
"2003202","11.0691","0.0004","12.1779","0.0011","14.338","0.0007","95.161","0.006","92.072","0.004","105.199","0.006","1854","0.2","299","","299","","","","","","","","","5","P -1","-P 1","2","","trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)","","- C43 H37 Br P2 Pd -","- C43 H37 Br P2 Pd -","- C86 H74 Br2 P4 Pd2 -","2","1","HA1125","Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.","trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults","Acta Crystallographica Section C","1995","51","2","208","210","10.1107/S0108270194009042","","","0.71073","MoKα","","","0.06","","","0.095","","","","","3.6","3.6","","","","","has coordinates","175111","2020-10-21","18:00:00",""
"2003205","8.161","0.001","8.222","0.001","23.113","0.002","93.46","0.02","96.88","0.02","113.43","0.02","1402.8","0.3","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","KA1091","B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju","4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone","Acta Crystallographica C","1995","51","2","265","267","10.1107/S0108270194007973","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003206","13.579","0.003","11.107","0.002","8.299","0.001","90","","105.9","0.01","90","","1203.8","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 N2 O -","- C13 H8 F4 N2 O -","- C52 H32 F16 N8 O4 -","4","1","LI1120","R. E. Banks; W. J. Jondi; R. G. Pritchard; A. E. Tipping","(E)-Acetophenone O-(3,4,5,6-Tetrafluoro-2-pyridyl)oxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate","Acta Crystallographica C","1995","51","2","293","295","10.1107/S0108270194009133","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003211","8.175","0.001","10.15","0.002","11.254","0.001","83.28","0.01","81.07","0.01","74.3","0.01","885.3","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H42 Cl14 N6 Pb -","- C12 H42 Cl14 N6 Pb -","- C12 H42 Cl14 N6 Pb -","1","0.5","MU1117","Marcus Geselle; Hartmut Fuess","Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride","Acta Crystallographica C","1995","51","2","242","244","10.1107/S0108270194009583","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003215","13.087","0.002","13.087","0.002","11.793","0.001","90","","90","","90","","2019.8","0.5","298","","298","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C12 H32 Cl4 N2 Zn -","- C12 H31 Cl4 N2 Zn -","- C48 H124 Cl16 N8 Zn4 -","4","0.5","NA1105","Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre","Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~","Acta Crystallographica Section C","1995","51","2","220","222","10.1107/S0108270194008152","","","0.7107","MoKα","","","0.041","","","0.042","","","","","1.33","1.33","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003217","14.9821","0.0009","5.9131","0.0007","23.502","0.002","90","","105.99","0.01","90","","2001.6","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 N4 O4 -","- C18 H22 Cl2 N4 O4 -","- C72 H88 Cl8 N16 O16 -","4","1","SE1047","Matthias Ramm; Hendrik Baumann; Klaus Kirschke","(E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino -2-butenoyl]morpholine","Acta Crystallographica C","1995","51","2","277","279","10.1107/S0108270194009364","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003220","4.577","0.001","32.074","0.006","7.353","0.001","90","","90.74","0.03","90","","1079.4","0.3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 N O4 P -","- C7 H18 N O7 P -","- C28 H72 N4 O28 P4 -","4","1","AB0326","Waskowska, A.; Kroupa, J.","Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}","Acta Crystallographica Section C","1995","51","3","420","423","10.1107/S0108270194006402","","","0.71073","MoKα","","","0.056","","","0.06","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003221","4.589","0.002","34.701","0.007","7.365","0.003","90","","90.61","0.03","90","","1172.8","0.7","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N O4 P -","- C8 H20 N O7 P -","- C32 H80 N4 O28 P4 -","4","1","AB0326","Waskowska, A.; Kroupa, J.","Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}","Acta Crystallographica Section C","1995","51","3","420","423","10.1107/S0108270194006402","","","0.71073","MoKα","","","0.065","","","0.065","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003222","8.2341","0.0005","9.7275","0.0005","20.8316","0.0012","90","","92.74","0.01","90","","1666.65","0.16","295","","","","","","","","","","Moberg et al. (1991)","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","AB1160","A. Ertan; I. Csöregh; H. Adolfsson; C. Moberg","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.043","","","0.056","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003223","11.0497","0.0006","13.1208","0.0005","13.5252","0.0005","90","","98.71","0.01","90","","1938.28","0.16","295","","","","","","","","","","Adolfsson et al. (1994)","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cu N3 O6 -","- C21 H19 Cu N3 O6 -","- C84 H76 Cu4 N12 O24 -","4","1","AB1160","Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.048","","","0.071","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003224","10.2034","0.0005","15.4648","0.0013","14.7073","0.0009","90","","102.4","0.01","90","","2266.6","0.3","295","","","","","","","","","","Adolfsson et al. (1994)","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu N3 O6.5 -","- C52 H38 Cu2 N6 O14 -","- C104 H76 Cu4 N12 O28 -","2","0.5","AB1160","Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.042","","","0.059","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003225","22.965","0.003","13.196","0.003","15.823","0.003","90","","108.28","0.01","90","","4553.1","1.5","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H21.44 N2 O0.72 S7 Sn3 -","- C6.14 N1.9 O0.605 S7 Sn3 -","- C49.12 N15.2 O4.84 S56 Sn24 -","8","1","AB1180","Tan, K.; Ko, Y.; Parise, J. B.","Trimethylammonium Tin Sulfide","Acta Crystallographica Section C","1995","51","3","398","401","10.1107/S0108270194010437","","","0.7107","MoKα","","","0.058","","","0.041","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003226","10.537","0.002","10.615","0.003","21.101","0.004","90","","92.24","0.02","90","","2358.3","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cd N16 Ni2 -","- C44 H54 Cd N16 Ni2 -","- C88 H108 Cd2 N32 Ni4 -","2","0.5","AB1195","Yuge, H.; Iwamoto, T.","Two-Dimensional Open-Frame Host Structure of the Inclusion Compound [Cd(tenH)~2~{Ni(CN)~4~}~2~].4C~6~H~5~NH~2~ (ten = 1,4-Diazabicyclo[2.2.2]octane)","Acta Crystallographica Section C","1995","51","3","374","377","10.1107/S0108270194009388","","","0.71069","MoKα","","","0.0417","","","0.0338","","","","","1.369","1.369","","","","","has coordinates","288340","2023-12-15","11:09:55",""
"2003227","21.023","0.001","14.907","0.001","8.2059","0.0007","90","","90","","90","","2571.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methoxy-5-oxo-11-azabenzo[b]fluorene-11-oxide","","- C17 H11 N O3 -","- C17 H11 N O3 -","- C136 H88 N8 O24 -","8","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.0387","0.038","","0.0859","0.0825","","","","1.087","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003228","7.47","0.001","20.033","0.002","8.97","0.002","90","","111.91","0.01","90","","1245.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-methoxy-5-oxo-11-azabenzo[b]fluorene","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C68 H44 N4 O8 -","4","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.1442","0.0771","","0.1765","0.1561","","","","1.875","2.423","2.423","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003229","16.374","0.002","20.082","0.002","19.137","0.005","90","","90.61","0.01","90","","6292.3","1.9","293","","293","","","","","","","","synthesised by the authors","5","P 1 21/n 1","-P 2yn","14","","2,2',2""-Triammoniumtriethylamine molybdate hexahydrate","","- C24 H96 Mo6 N16 O30 -","- C24 H96 Mo6 N16 O30 -","- C96 H384 Mo24 N64 O120 -","4","1","AB1214","Alyea, E. C.; Ferguson, G.; Xu, Z.","Hydrogen-Bonded Self-Assembly of Tris(2-ammonioethyl)amine Molybdate Hydrate, 4[N(CH~2~CH~2~NH~3~)~3~]^3+^.6[MoO~4~]^2{-^}.6H~2~O","Acta Crystallographica Section C","1995","51","3","353","356","10.1107/S0108270194009996","","","0.71069","MolybdenumKα","","0.042","0.03","","0.049","0.045","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003230","11.321","0.003","10.782","0.002","17.916","0.004","90","","90","","90","","2186.9","0.9","293","","293","","","","","","","","synthesised by the authors","3","P c a n","-P 2n 2c","60","o-phenylenedioxy-bis(dimethyl-4-oxahexanoic acid)","6,6'-o-phenylenedioxybis(2,2-dimethyl-4-oxahexanoic acid)","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","0.5","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.107","0.071","","0.088","0.082","","","","","2.04","2.04","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003231","12.457","0.003","9.828","0.002","12.588","0.002","90","","106.79","0.02","90","","1475.4","0.5","293","","293","","","","","","","","synthesised by authors","3","P 1 21/a 1","-P 2yab","14","tetramethyl-4,7-dioxadecanedioic acid","2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.097","0.038","","0.061","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003232","5.765","0.002","11.951","0.002","13.325","0.002","98.17","0.02","91.71","0.02","101.48","0.02","889","0.4","293","","293","","","","","","","","synthesised by the authors","3","P -1","-P 1","2","hexamethyl-4,8-dioxaundecanedioic acid","2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioic acid","","- C15 H28 O6 -","- C15 H28 O6 -","- C30 H56 O12 -","2","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.091","0.04","","0.065","0.057","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003233","14.565","0.003","15.359","0.003","7.883","0.002","90","","90.08","0.02","90","","1763.5","0.7","293","1","","","","","","","","","totally synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O7 -","- C21 H23 O7 -","- C84 H92 O28 -","4","1","AS1118","Cotterill, A. S.; Gable, R. W.; Gill, M.","Methyl Austrocorticinate","Acta Crystallographica Section C","1995","51","3","500","502","10.1107/S010827019400956X","","","0.71069","MoKᾱ","","","0.063","","","0.043","","","","","1.876","1.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003234","15.387","0.002","7.705","0.002","16.013","0.002","90","","90","","90","","1898.5","0.6","296","","296","","","","","","","","synthesized and crystallized from EtOH/H~2~O solution","5","P n a 21","P 2c -2n","33","","6-ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidyl)-5-methyl-1-oxo-1H,5H- benzo[i,j]quinolizine-2-carboxylic acid","","- C21 H25 F N2 O4 -","- C21 H25 F N2 O4 -","- C84 H100 F4 N8 O16 -","4","1","AS1135","Hashimoto, K.; Fujita, N.; Tanaka, T.; Kido, M.","6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizine-2-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","519","521","10.1107/S0108270194008504","","","0.7107","MoKα","","","0.036","","","0.04","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003235","12.325","0.004","8.553","0.003","16.299","0.007","90","","103.39","0.03","90","","1671.5","1.1","293","","","","","","","","","","EPA, recrystallized from ethanol","6","P 1 21/c 1","-P 2ybc","","","","","- C12 H16 N3 O3 P S2 -","- C12 H22 N3 O3 P S2 -","- C48 H88 N12 O12 P4 S8 -","4","1","BK1007","Baughman, R. G.; Allen, J. L.","Organophosphorus Insecticides. 16. Azinphos Ethyl: <i>O</i>,<i>O</i>-Diethyl <i>S</i>-{[4-Oxo-1,2,3-benzotriazin-3(4<i>H</i>)-yl]methyl} Phosphorodithioate, C~12~H~16~N~3~O~3~PS~2~","Acta Crystallographica Section C","1995","51","3","521","523","10.1107/S0108270194007705","","","0.71073","MoKα","","","0.05","","","0.044","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003236","12.241","0.005","16.05","0.05","9.63","0.004","90","","110.73","0.03","90","","1769","6","173","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N6 S3 -","- C11 H24 N6 S3 -","- C44 H96 N24 S12 -","4","1","BK1026","Garneau, I.; Raymond, S.; Brisse, F.","A Thiourea‒1,5-Cyclooctadiene Clathrate at 173 K","Acta Crystallographica Section C","1995","51","3","538","541","10.1107/S0108270194007717","","","1.54178","GraphitemonochromatedCuKᾱ","","","0.0432","","","0.0539","","","","","1.872","1.872","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003237","13.364","0.002","12.991","0.002","13.548","0.002","90","","108.35","0.012","90","","2232.5","0.6","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B Cl F4 Mo P3 -","- C14 H32 B Cl F4 Mo P3 -","- C56 H128 B4 Cl4 F16 Mo4 P12 -","4","1","BK1037","Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.","[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]","Acta Crystallographica Section C","1995","51","3","364","367","10.1107/S010827019400898X","","","0.7093","MoKα","","0.074","0.052","","0.066","0.056","","","","","1.051","1.051","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003238","12.369","0.006","14.664","0.005","15.769","0.005","90","","90.96","0.03","90","","2859.8","1.9","299","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H42 Cl F6 Mo P4 -","- C19 H42 Cl F6 Mo P4 -","- C76 H168 Cl4 F24 Mo4 P16 -","4","1","BK1037","Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.","[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]","Acta Crystallographica Section C","1995","51","3","364","367","10.1107/S010827019400898X","","","0.7093","MoKα","","0.0851","0.0694","","0.1255","0.1193","","","","","1.89","1.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003239","14.3565","0.0007","14.8021","0.0008","25.612","0.002","90","","90","","90","","5442.7","0.6","295","","","","","","","","","","slow cooling of p-xylene solution","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl8 O6 -","- C22 H24 Cl8 O6 -","- C176 H192 Cl64 O48 -","8","1","BK1038","Garcia, J. G.; Fronczek, F. R.","The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels‒Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene","Acta Crystallographica Section C","1995","51","3","468","471","10.1107/S0108270194008681","","","0.71073","MoKα","","","0.035","","","0.037","","","","","1.468","1.468","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003240","13.684","0.005","20.294","0.005","13.09","0.004","98.64","0.02","107.98","0.03","91.06","0.02","3410.2","1.9","200","","","","","","","","","","from acetic acid/CH~2~Cl~2~ solution","5","P -1","-P 1","2","","","","- C71 H84 Cl2 N4 O10 -","- C71 H84 Cl2 N4 O10 -","- C142 H168 Cl4 N8 O20 -","2","1","BK1046","Barkigia, K. M.; Fajer, J.; Berber, M. D.; Smith, K. M.","A Solvate of the Diacetate Salt of the Octaethyltetraphenylporphyrin Dication, H~4~OETPP^2+^.2CH~3~COO^{-^}.3CH~3~COOH.CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","3","511","515","10.1107/S0108270194008978","","","1.5418","CuKα","","","0.095","","","0.119","","","","","3.17","3.17","","","","","has coordinates","190721","2020-10-21","18:00:00",""
"2003241","7.162","0.001","7.417","0.001","9.469","0.002","69.27","0.02","93.79","0.02","92.41","0.02","469.31","0.15","298","","298","","","","","","","","The title compound was obtained by reaction of 2,6-dimethoxypyridine with Vilsmeier's reagent following a literature procedure (Shiao, Shyu & Tarng, 1990). Suitable crystals for this study were obtained from dichloromethane--hexane (1:2), m.p. 415--416 K.","5","P -1","-P 1","2","","2-chloro-6-dimethylamino-3,5-diformylpyridine","","- C9 H9 Cl N2 O2 -","- C9 H9 Cl N2 O2 -","- C18 H18 Cl2 N4 O4 -","2","1","BK1066","Lai, L.-L.; Liu, L.-K.; Shiao, M.-J.; Wen, Y.-S.","2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde","Acta Crystallographica Section C","1995","51","3","517","519","10.1107/S0108270194010310","","","0.7107","MoKα","","0.036","0.028","","0.038","0.037","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003242","10.677","0.007","16.763","0.008","10.015","0.005","90","","90","","90","","1792.5","1.7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 O6 P -","- C16 H27 O6 P -","- C64 H108 O24 P4 -","4","1","BK1079","Capron, M. A.; An, J.; Swenson, D. C.; Wiemer, D. F.","Cyclic (1<i>R</i>,3<i>R</i>)-1,3-Dimethyltrimethylene [(5<i>R</i>)-2-Hydroxy-5-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl]phosphonate, a Stable Enol","Acta Crystallographica Section C","1995","51","3","479","482","10.1107/S0108270194010164","","","0.71073","MoKα","","","0.037","","","0.048","","","","","1.09","1.09","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003243","6.149","0.003","9.221","0.008","3.121","0.001","90.29","0.05","92.23","0.04","104.3","0.05","171.33","0.18","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B4 Mg4 O10 -","2","1","BR1079","Guo, G.-C.; Cheng, W.-D.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.","Triclinic Mg~2~B~2~O~5~","Acta Crystallographica Section C","1995","51","3","351","353","10.1107/S0108270194009303","","","0.71069","MoKα","","","0.03","","","0.047","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003244","6.676","0.001","7.969","0.002","14.259","0.002","90","","93","0.01","90","","757.6","0.2","296","","","","","","","","","","grown from a melt of composition 1SrO:1K~2~O:4B~2","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 K O9 Sr -","- B5 K O9 Sr -","- B20 K4 O36 Sr4 -","4","1","BR1081","Tu, J.-M.; Keszler, D. A.","SrKB~5~O~9~","Acta Crystallographica Section C","1995","51","3","341","343","10.1107/S0108270194007493","","","0.71069","MoKα","","","0.044","","","0.048","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003245","5.951","0.001","5.951","0.001","28.875","0.006","90","","90","","120","","885.6","0.3","295","2","","","","","","","cooled from 1723 to 1523 K at 15 K h^-1^","","Crystals of the title compound were prepared by melting a pre-reacted stoichiometric powder mixture in sealed Pt tube, which was then cooled from 1723 to 1523 K at 15 K h^-1^.","3","R -3 m :H","-R 3 2""","166","","","","- Co10 Ge3 O16 -","- Co10 Ge3 O16 -","- Co30 Ge9 O48 -","3","0.0833333","BR1086","Barbier, J.","Co~10~Ge~3~O~16~","Acta Crystallographica Section C","1995","51","3","343","345","10.1107/S0108270194010954","","","0.5608","AgKα","","","0.058","","","0.069","","","","","0.82","0.82","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003246","18.56","0.003","13.335","0.004","9.677","0.003","90","","90","","90","","2395","1.1","295","1","295","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H2 Cl3 Cs6 Fe N6 O -","- C5 Cl2.5 Cs5 Fe0.5 N5 O -","- C20 Cl10 Cs20 Fe2 N20 O4 -","4","0.5","BR1089","Capparelli, M. V.; Murgich, J.","Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt","Acta Crystallographica Section C","1995","51","3","356","358","10.1107/S010827019401022X","","","0.71069","MoKα","","","0.0243","","","0.0276","","","","","2.188","2.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003247","6.799","0.02","6.938","0.007","7.011","0.005","77.51","0.07","72.59","0.1","78.5","0.13","304.9","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","Nickel tin(II) fluoride hexahydrate","Nickel bistrifluorostannate(II) hexaydrate","","- F6 H12 Ni O6 Sn2 -","- F6 H12 Ni O6 Sn2 -","- F6 H12 Ni O6 Sn2 -","1","0.5","BR1092","Abrahams, I.; Donaldson, J. D.; Khan, Z. I.","Nickel Bistrifluorostannate(II) Hexahydrate, [Ni(H~2~O)~6~](SnF~3~)~2~","Acta Crystallographica Section C","1995","51","3","345","346","10.1107/S0108270194011340","","","0.71069","MoKα","","0.0247","0.0214","","0.0566","0.0559","","","","1.099","1.133","1.133","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003248","4.795","0.001","7.108","0.001","7.83","0.002","89.83","0.03","87.59","0.03","73.11","0.03","255.12","0.1","298","","298","","","","","","heated progressively to 1243 K; heating an appropriate mixture of material to 1275 K","","","4","P -1","-P 1","2","","Strontium Iron(III) Diphosphate","","- Fe2 O14 P4 Sr -","- Fe2 O14 P4 Sr -","- Fe2 O14 P4 Sr -","1","0.5","BR1094","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Strontium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1995","51","3","346","348","10.1107/S0108270194010693","","","0.71073","MoKα","","","0.0378","","","0.0463","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003249","8.962","0.001","11.136","0.002","8.922","0.001","95.14","0.01","104.5","0.01","86.74","0.01","858","0.2","296","","296","","","","","","","","Sigma Chemical Co.,St. Louis, Mo.,USA","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","CD1034","Jasinski, J. P.; Paight, E. S.","3-(2-Benzothiazolyl)-7-(diethylamino)coumarin","Acta Crystallographica Section C","1995","51","3","531","533","10.1107/S0108270194003628","","","0.7107","MoKα","","","0.0359","","","0.0413","","","","","1.528","1.528","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003250","6.929","0.003","6.725","0.003","10.778","0.005","90","","99.27","0.04","90","","495.7","0.4","235","","","","","","","","","","recrystallization from ethyl acetate","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","1","CD1064","Sondossi, M.; Lloyd, B. A.; Bariault, D.; Sylvestre, M.; Simard, M.","Microbial Transformation of a Dihydroxybiphenyl","Acta Crystallographica Section C","1995","51","3","491","494","10.1107/S0108270194008590","","","1.54056","CuKα","","","0.046","","","0.053","","","","","2.84","2.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003251","11.186","0.001","15.064","0.003","17.281","0.005","90","","103.9","0.02","90","","2826.7","1.1","296","","","","","","","","","","slow evaporation from CH~2~Cl~2~/iso-octane solution","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","2","CR1102","Schultz, L. W.; Clardy, J.; Lessinger, L.","9,11-Secogorgost-5-en-9-one-3β,11-diol, a Marine Steroid from the Sea Whip <i>Pseudopterogorgia hummelinkii</i>","Acta Crystallographica Section C","1995","51","3","415","419","10.1107/S010827019400452X","","","1.54178","CuKα","","","0.0529","","","0.0674","","","","","1.1313","1.1313","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003252","14.822","0.003","7.055","0.001","10.205","0.002","90","","123.79","0.01","90","","886.9","0.3","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Eu2 H3 O9 P3 -","- Eu2 H4 O10 P4 -","- Eu8 H16 O40 P16 -","4","0.5","DU1051","Foulon, J.-D.; Durand, J.; Cot, L.; Tijani, N.; Rafiq, M.","Eu~2~(PO~3~H)~3~","Acta Crystallographica Section C","1995","51","3","348","350","10.1107/S0108270193007796","","","0.71073","MoKα","","","0.026","","","0.032","","","","","3.34","3.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003253","11.484","0.003","15.913","0.004","9.407","0.003","90","","101.46","0.01","90","","1684.8","0.8","293","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Diphenylphosphinophenyl)-1-propanone","","- C21 H19 O P -","- C21 H19 O P -","- C84 H76 O4 P4 -","4","1","FG1009","Rasley, B. T.; Rapta, M.; Kulawiec, R. J.","2'-(Diphenylphosphino)propiophenone, a Functionalized Tertiary Phosphine","Acta Crystallographica Section C","1995","51","3","523","525","10.1107/S0108270194006578","","","0.71073","MoKα","","0.0577","0.04","","0.1045","0.0944","","","","1.046","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003254","8.713","0.004","11.553","0.001","15.612","0.006","90","0.02","107.94","0.05","90","0.03","1495.1","1","293","2","293","2","","","","","","","synthesis (Cambie et al., 1987)","3","P 1 21/c 1","-P 2ybc","14","","13-hydroxy-6-methoxy-4-methyl-7,12-dihydro-1,4epoxy-1H-anthra[2,3-d]-1,2- dioxepin-7,12-dione","","- C19 H14 O7 -","- C19 H14 O7 -","- C76 H56 O28 -","4","1","FG1034","Buckleton, J. S.; Clark, G. R.; Rickard, C. E. F.","A Stable Ozonide","Acta Crystallographica Section C","1995","51","3","494","495","10.1107/S0108270194010577","","","1.5418","CuKα","","0.0843","0.0606","","0.1745","0.1666","","","","1.018","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003255","11.408","0.002","11.495","0.002","17.672","0.004","90","","90","","90","","2317.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(Trimethylsilyl)methyl Tetracylo[5.4.0.0^6,10^.0^9,11^] Undecan-4-yl 3,5-Dinitrobenzoate","","- C22 H28 N2 O6 Si -","- C22 H28 N2 O6 Si -","- C88 H112 N8 O24 Si4 -","4","1","FG1035","Lautens, M.; Lough, A. J.; Tam, W.","4-[(Trimethylsilyl)methyl]tetracyclo[5.4.0.0^6,10^.0^9,11^]undec-3-yl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","3","471","473","10.1107/S0108270194010966","","","0.71073","MoKα","","0.0988","0.0483","","0.1279","0.1092","","","","1.024","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003256","10.555","0.003","12.68","0.003","13.675","0.004","62.42","0.02","87.01","0.02","85.63","0.02","1617.2","0.8","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","1-diphenylmethylene-4-triphenylmethyl-cyclohexa-2,5-diene","","- C44 H36 -","- C44 H36 -","- C88 H72 -","2","1","HA1119","Bochkarev, L. N.; Molosnova, N. E.; Zakharov, L. N.; Fukin, G. K.; Yanovsky, A. I.; Struchkov, Y. T.","1-Diphenylmethylene-4-(triphenylmethyl)cyclohexa-2,5-diene Benzene Solvate","Acta Crystallographica Section C","1995","51","3","489","491","10.1107/S0108270194009005","","","0.71073","MoKα","","0.1106","0.0525","","0.179","0.1291","","","","1.038","0.988","0.988","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003257","7.544","0.003","8.576","0.003","12.014","0.007","78.01","0.03","83.36","0.03","71.41","0.03","719.6","0.6","295","2","295","2","","","","","","","The title compound was obtained by the reaction of PhNHN=C(Me)CHO with 2,2-dimethyl-1,3-dioxane-4,6-dione. Crystals were grown from ethanol (McNab & Stobie, 1982).","4","P -1","-P 1","2","5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-Meldrum's acid","5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-2,2-dimethyl-1,3-dioxane -4,6-dione","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","HA1123","Blake, A. J.; McNab, H.","2,2-Dimethyl-5-(2-methyl-4-phenyl-3,4-diaza-2-butenylidene)-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","1995","51","3","527","529","10.1107/S0108270194008371","","","0.71073","MoKα","","0.0541","0.0397","","0.1394","0.1285","","","","1.056","1.124","1.124","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003258","11.25","0.007","8.564","0.005","4.157","0.002","90","","90","","90","","400.5","0.4","293","2","293","2","","","","","","","By crystallisation from an aqueous solution containing Pb(NCS)~2~ and sodium acetate","6","P b n m","-P 2c 2ab","62","","Lead hydroxy thiocyanate","","- C H N O Pb S -","- C N2 O Pb S -","- C4 N8 O4 Pb4 S4 -","4","0.5","HA1124","Adovasio, V.; Nardelli, M.","Metal‒Hydroxy Ribbons in Pb(OH)(NCS)","Acta Crystallographica Section C","1995","51","3","380","382","10.1107/S0108270194009145","","","0.71069","MoKα","","","0.0264","","","0.0579","","","","","1.171","1.171","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003259","5.8813","0.0014","15.474","0.003","14.919","0.006","90","","95.64","0.03","90","","1351.2","0.7","150","0.2","150","0.2","","","","","","","The title compound was made by a Wittig reaction of 2-(t-butylthio)benzalde- hyde with methyl triphenylphosphoranylidenacetate in dichloromethane (MacPherson, 1994; Cadogan, MacPherson & McNab, 1994). Crystals were grown from hexane solution.","4","P 1 21/n 1","-P 2yn","14","Methyl 2-(t-Butylthio)cinnamate","Methyl 3-[2-(t-Butylthio)phenyl]propenoate","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","HA1130","Blake, A. J.; Cadogan, J. I. G.; Dijksma, F. J. J.; Gould, R. O.; MacPherson, A. D.; McNab, H.","Methyl 3-[2-(<i>tert</i>-Butylthio)phenyl]propenoate","Acta Crystallographica Section C","1995","51","3","509","511","10.1107/S0108270194009777","","","0.71073","MoKα","","0.0393","0.0295","","0.0803","0.0727","","","","1.063","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003260","11.79","0.006","11.79","0.006","18.373","0.004","90","","90","","120","","2211.8","1.7","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 I P -","- C14 H16 I P -","- C84 H96 I6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.021","","","0.0242","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003261","11.603","0.002","11.603","0.002","17.968","0.005","90","","90","","120","","2094.9","0.8","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 Br P -","- C14 H16 Br P -","- C84 H96 Br6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.039","","","0.0464","","","","","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003262","8.497","0.003","9.902","0.003","21.03","0.005","90","","92.14","0.01","90","","1768.2","0.9","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cu N3 O7 -","- C16 H19 Cu N3 O7.5 -","- C64 H76 Cu4 N12 O30 -","4","2","HU1069","Baggio, R. F.; Calvo, R.; Brondino, C.; Garland, M. T.; Atria, A. M.; Spodine, E.","A Novel Structure of (<small>L</small>-Aspartato)(1,10-phenanthroline)copper(II) Hydrate","Acta Crystallographica Section C","1995","51","3","382","385","10.1107/S0108270194009297","","","0.71073","MoKα","","","0.0322","","","0.0424","","","","","1.12","1.12","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003263","9.793","0.001","9.793","0.001","9.978","0.002","90","","90","","120","","828.7","0.2","293","10","293","10","","","","","","","","5","P 32","P 32","145","","N-(2R)-bromopropionyl-(2S)-proline methyl ester","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C27 H42 Br3 N3 O9 -","3","1","HU1118","Ingham, S. L.; Lenman, M. M.","<i>N</i>-[2(<i>R</i>)-Bromopropanoyl]-(2<i>S</i>)-proline Methyl Ester","Acta Crystallographica Section C","1995","51","3","537","538","10.1107/S0108270194007961","","","0.71073","MoKα","","0.0397","0.0343","","0.0944","0.0909","","","","1.124","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003264","12.514","0.005","7.433","0.004","13.956","0.006","90","","114.86","0.03","90","","1177.9","1","150","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetraethylammonium perchlorate","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","HU1122","Kivikoski, J.; Howard, J. A. K.; Kelly, P.; Parker, D.","Tetraethylammonium Perchlorate at 150 K","Acta Crystallographica Section C","1995","51","3","535","536","10.1107/S0108270194008619","","","0.71073","MoKα","","","0.0489","","","0.0517","","","","","","","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003265","8.421","0.002","11.421","0.002","17.431","0.004","90","","93.84","0.01","90","","1672.7","0.6","294","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C13 H18 As F6 O P Ru -","- C13 H18 As F10 O P Ru -","- C52 H72 As4 F40 O4 P4 Ru4 -","4","1","KA1055","Kirchner, K.; Schmid, R.; Mereiter, K.","[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~","Acta Crystallographica Section C","1995","51","3","361","364","10.1107/S0108270194005688","","","0.71069","MoKα","","","0.026","","","0.03","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003266","8.076","0.001","24.399","0.004","13.337","0.002","90","","96.52","0.01","90","","2611","0.7","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 As F6 O P Ru -","- C28 H24 As F6 O P Ru -","- C112 H96 As4 F24 O4 P4 Ru4 -","4","1","KA1055","Kirchner, K.; Schmid, R.; Mereiter, K.","[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~","Acta Crystallographica Section C","1995","51","3","361","364","10.1107/S0108270194005688","","","0.71069","MoKα","","","0.028","","","0.027","","","","","1.14","1.14","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003267","8.411","0.002","7.094","0.001","19.349","0.004","90","","90","","90","","1154.5","0.4","293","","","","","","","","","","recrystallized from water","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 N5 S -","- C2 H7 N5 S -","- C16 H56 N40 S8 -","8","1","KA1069","Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A.","Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone","Acta Crystallographica Section C","1995","51","3","442","445","10.1107/S0108270194005494","","","0.71073","MoKα","","","0.0333","","","0.0804","","","","","1.004","1.004","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003268","24.667","0.004","10.573","0.003","15.736","0.004","90","","90","","90","","4104","1.7","293","2","293","2","","","","","","","synthesis","6","C c c 2","C 2 -2c","37","","bis(thiourea)bis(benzoato)zinc(II)","","- C16 H18 N4 O4 S2 Zn -","- C16 H18 N4 O4 S2 Zn -","- C128 H144 N32 O32 S16 Zn8 -","8","1","KA1071","Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M.","Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II)","Acta Crystallographica Section C","1995","51","3","392","395","10.1107/S0108270194004075","","","0.7093","MoKα","","0.0517","0.0286","","0.0728","0.0664","","","","0.955","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003269","14.257","0.002","7.2001","0.0008","12.871","0.001","90","","108.88","0.01","90","","1250.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-hydroxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0605","0.0421","","0.1244","0.1112","","","","1.109","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003270","16.092","0.002","7.906","0.001","11.889","0.001","90","","115.2","0.01","90","","1368.6","0.3","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-methoxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0576","0.0553","","0.145","0.1412","","","","1.072","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003271","17.158","0.002","17.158","0.002","17.158","0.002","116.66","0.02","116.66","0.02","116.66","0.02","2344","4","293","2","293","2","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C90 H150 N18 O6 -","6","1","KA1083","Anulewicz, R.; Fiertek, D.; Izdebski, J.","1-Cyclohexyl-2-cyclohexylamino-5(4<i>H</i>)-imidazolone","Acta Crystallographica Section C","1995","51","3","541","543","10.1107/S0108270194006529","","","1.54056","CuKα","","0.0943","0.0493","","0.1482","0.1148","","","","1.08","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003272","13.274","0.004","7.746","0.002","15.08","0.005","90","","108.33","0.03","90","","1471.9","0.8","293","","","","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","KA1087","Guidetti-Grept, R.; Herzog, B.; Debrunner, B.; Siljegovic, V.; Keese, R.; Frey, H.-M.; Hauser, A.; König, O.; Lüthi, S.; Birrer, J.; Nyffeler, D.; Förtsch, M.; Bürgi, H.-B.","A [5.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1995","51","3","495","497","10.1107/S0108270194009455","","","0.71069","MoKα","","","0.04","","","0.055","","","","","1.534","1.534","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003273","27.85","0.007","5.217","0.003","13.463","0.004","90","","80.57","0.02","90","","1929.7","1.3","295","","","","","","","","","","synthetic","4","C 1 2 1","C 2y","5","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","KA1090","Weber, H. P.; Scholz, D.; Schmidt, H.; Gstach, H.","(2<i>S</i>,3<i>R</i>,4<i>S</i>)-4-(1,1-Dimethylethoxycarbonylamino)-2,3-epoxy-5-phenylpentanoic Acid Ethyl Ester","Acta Crystallographica Section C","1995","51","3","477","479","10.1107/S0108270194010656","","","1.54184","CuKα","","","0.098","","","0.109","","","","","0.538","0.538","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003274","15.412","0.008","8.169","0.002","19.487","0.004","90","","110.91","0.03","90","","2291.8","1.5","293","","","","","","","","","","Crystallized from methanol","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 F N5 O -","- C10 H12 F N5 O -","- C80 H96 F8 N40 O8 -","8","2","LI1096","Janes, R. W.; Palmer, R. A.","A Lamotrigine Analogue: 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine Methanol Solvate","Acta Crystallographica Section C","1995","51","3","440","442","10.1107/S0108270194005378","","","1.54178","CuKα","","","0.0579","","","0.0733","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003275","25.171","0.003","5.245","0.001","15.557","0.002","90","","121.92","0.02","90","","1743.3","0.6","296","","296","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","2-Fluoro-8,8-Dimethyl-9-Oxa-4,7-Diazabicyclo[4.3.0]Nona-1,6-Dien-3,5-Dione","","- C8 H7 F N2 O3 -","- C8 H7 F N2 O3 -","- C64 H56 F8 N16 O24 -","8","1","LI1122","Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.","5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C~8~H~7~FN~2~O~3~): a Novel Product from Pyrolysis of <i>N</i>-Isopropylidene-<i>O</i>-tetrafluoro-4-pyridylhydroxylamine in Glass","Acta Crystallographica Section C","1995","51","3","515","517","10.1107/S0108270194008772","","","0.71069","MoKα","","","0.0414","","","0.027","","","","","1.947","1.947","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003276","9.456","0.002","22.745","0.004","16.707","0.003","90","","93.16","0.02","90","","3587.8","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl3 N Ni O5 P2 S2 -","- C31 H34 N Ni O P2 S2 -","- C124 H136 N4 Ni4 O4 P8 S8 -","4","1","LI1125","Akilan, R.; Sivakumar, K.; Venkatachalam, V.; Ramalingam, K.; Chinnakali, K.; Fun, H.-K.","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>'](4-morpholinecarbodithioato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","3","368","370","10.1107/S010827019401070X","","","0.71073","MoKα","","0.1259","0.051","","0.1306","0.1073","","","","0.869","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003277","7.95","0.001","8.88","0.001","17.525","0.003","90","","90","","90","","1237.2","0.3","295","","","","","","","","","","Dissolving glutaric acid/lithium carbonate (1mol:0.5mol) in water yields crystals on standing","4","P b c a","-P 2ac 2ab","","","","","- C5 H7 Li O4 -","- C5 H7 Li O4 -","- C40 H56 Li8 O32 -","8","1","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","1.5418","CuKα","","","0.037","","","0.051","","","","","2.74","2.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003278","13.222","0.002","18.633","0.003","10.092","0.002","90","","103.02","0.01","90","","2422.4","0.7","293","","","","","","","","","","Glutaric acid/caesium carbonate (1mol:0.5mol) dissolved in water yields crystals on standing","4","C 1 2/m 1","-C 2y","12","","","","- C5 H7 Cs O4 -","- C5 H7 Cs O4 -","- C60 H84 Cs12 O48 -","12","1.5","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","0.71069","MoKα","","","0.029","","","0.043","","","","","2.4","2.4","","","","","has coordinates","198392","2020-10-21","18:00:00",""
"2003279","12.679","0.006","14.794","0.01","12.653","0.007","114.16","0.05","117.54","0.04","75.97","0.06","1916","2","293","","","","","","","","","","Crystallized from methanol","6","P -1","-P 1","2","","","","- C16 H16 Co N3 O5 S3 -","- C15.5 H16 Co N3 O4.5 S3 -","- C62 H64 Co4 N12 O18 S12 -","4","2","MU1088","Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.","<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH","Acta Crystallographica Section C","1995","51","3","370","374","10.1107/S0108270194006207","","","0.71069","MoKα","","","0.062","","","0.064","","","","","1.36","1.36","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003280","21.997","0.011","9.094","0.005","27.594","0.009","90","","95.87","0.04","90","","5491","4","296","1","","","","","","","","","Crystallized from methanol","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co N3 O4 S3 -","- C15.3333 H13.3333 Co N3 O3.33333 S3 -","- C184 H160 Co12 N36 O40 S36 -","12","3","MU1088","Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.","<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH","Acta Crystallographica Section C","1995","51","3","370","374","10.1107/S0108270194006207","","","0.71069","MoKα","","","0.052","","","0.062","","","","","1.38","1.38","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003281","7.511","0.003","9.468","0.005","8.142","0.002","88.26","0.04","112.69","0.02","92.23","0.04","533.7","0.4","295","","","","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C7 H12 N4 S2 -","- C7 H12 N4 S2 -","- C14 H24 N8 S4 -","2","1","MU1121","Seth, S.; Sur, H.","A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione and Thiourea","Acta Crystallographica Section C","1995","51","3","487","489","10.1107/S0108270194009236","","","0.71073","MoKα","","","0.034","","","0.038","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003282","11.161","0.002","11.338","0.006","17.206","0.013","98.726","0.056","107.306","0.04","111.682","0.039","1846","2","210","1","","","","","","","","","slow diffusion of n-hexane into dichloromethane solution at 243 K","7","P -1","-P 1","2","","","","- C28 H38 B9 Cl4 P2 Rh S -","- C28 H38 B9 Cl4 P2 Rh S -","- C56 H76 B18 Cl8 P4 Rh2 S2 -","2","1","MU1131","Adams, K. J.; McGrath, T. D.; Welch, A. J.","8-(Ph~2~PCH~2~CH~2~PPh~2~)-8,7-<i>nido</i>-RhSB~9~H~10~.2CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","3","401","403","10.1107/S0108270194009947","","","0.71069","MoKα","","","0.0528","","","0.0846","","","","","1.618","1.618","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003283","11.8386","0.0009","15.3158","0.0012","7.7899","0.0006","90","","95.97","0.008","90","","1404.79","0.19","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","MU1138","Clegg, W.; Hewkin, C. T.; Jackson, R. F. W.","2,6-Diphenyl-3-vinylpyridine","Acta Crystallographica Section C","1995","51","3","525","527","10.1107/S0108270194010814","","","1.54184","CuKα","","0.0633","0.0588","","0.1739","0.1597","","","","1.059","1.064","1.064","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003284","13.179","0.001","12.075","0.001","17.963","0.001","90","","109.1","0.007","90","","2701.2","0.4","296","1","296.2","","","","","","","","isolation","3","P 1 21 1","P 2yb","4","","","","- C62 H52 O24 -","- C62 H52 O24 -","- C124 H104 O48 -","2","1","NA1086","Bryant, F. O.; Cutler, H. G.; Burla, M. C.; Newton, M. G.","Duclauxin Ethyl Acetate Solvate, 2C~29~H~22~O~11~.C~4~H~8~O~2~","Acta Crystallographica Section C","1995","51","3","437","440","10.1107/S010827019400394X","","","1.54178","CuKᾱ","","","0.038","","","0.042","","","","","3.13","3.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003285","5.593","0.001","12.227","0.002","15.705","0.007","90","","90","","90","","1074","0.5","298","","","","","","","","","","Chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O4 S -","- C9 H12 N2 O4 S2 -","- C36 H48 N8 O16 S8 -","4","1","NA1093","Ayala, D. J.; Bombieri, G.; Perosino, T.; Stradi, R.","3-(5-Oxo-<small>L</small>-prolyl)-<small>L</small>-thiazolidine-4-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","473","475","10.1107/S0108270194008280","","","0.71069","MoKα","","","0.0367","","","0.0409","","","","","0.85","0.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003286","17.144","0.001","11.45","0.003","10.179","0.002","90","","90.757","0.008","90","","1998","0.7","293","","293","","","","","","","","Janssen Research Foundation, Belgium","5","P 1 21/c 1","-P 2ybc","14","","3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2-methyl- 4H-pyrido[1,2-a]pyrimidine-4-one","","- C23 H24 F N3 O2 -","- C23 H24 F N3 O2 -","- C92 H96 F4 N12 O8 -","4","1","NA1112","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","3-{2-[4-(4-Fluorobenzoyl)piperidino]ethyl}-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (Pirenperone)","Acta Crystallographica Section C","1995","51","3","533","535","10.1107/S0108270194008176","","","1.54184","CuKα","","0.1846","0.0748","","0.2297","0.1648","","","","1.13","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003287","7.898","0.001","26.463","0.004","14.099","0.002","90","","99.69","0.02","90","","2904.7","0.7","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1-pyrenyl)-3-(4-(dimethylamino)phenyl)hexamethyltrisilane","","- C30 H37 N Si3 -","- C30 H37 N Si3 -","- C120 H148 N4 Si12 -","4","1","NA1121","Van Meervelt, L.","1-[4-(Dimethylamino)phenyl]-3-(1-pyrenyl)hexamethyltrisilane","Acta Crystallographica Section C","1995","51","3","543","544","10.1107/S0108270194010413","","","1.54178","CuKα","","0.123","0.064","","0.1746","0.148","","","","1.058","1.191","1.191","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003288","14.539","0.003","5.492","0.002","23.452","0.002","90","","98.12","0.01","90","","1853.8","0.8","296","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O S2 -","- C18 H28 O S2 -","- C72 H112 O4 S8 -","4","1","OH1059","Miyake, M.; Haramoto, Y.","2-(<i>p</i>-Ethoxyphenyl)-5-hexyl-1,3-dithiane, C~18~H~28~OS~2~","Acta Crystallographica Section C","1995","51","3","475","477","10.1107/S0108270194007584","","","0.71069","MoKα","","","0.044","","","0.047","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003289","7.342","0.002","4.702","0.002","23.131","0.006","90","","101.83","0.01","90","","781.6","0.4","294","1","","","","","","","","","Slow evaporation of an ethanolic solution","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Hg S2 -","- C4 H10 Hg S2 -","- C16 H40 Hg4 S8 -","4","0.5","OH1066","Fraser, K. A.; Clegg, W.; Craig, D. C.; Scudder, M. L.; Dance, I. G.","New Crystal Data for [Hg(SC~2~H~5~)~2~]","Acta Crystallographica Section C","1995","51","3","406","408","10.1107/S0108270194009510","","","0.7107","MoKα","","","0.017","","","0.031","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003290","10.43","0.007","11.728","0.007","12.268","0.009","108.31","0.05","98.34","0.05","115.66","0.05","1212.9","1.7","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O2 -","- C12 H13.5 N2 O2 -","- C48 H54 N8 O8 -","4","2","PA1096","Suchod, B.; Baldeck, P.","<i>N</i>,<i>N</i>-Diethyl-4-(2-nitroethenyl)phenylamine (DEANST), C~12~H~6~N~2~O~2~","Acta Crystallographica Section C","1995","51","3","432","434","10.1107/S0108270194005998","","","0.7107","MoKα","","","0.089","","","0.079","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003291","7.84","0.01","18.4","0.02","7.65","0.03","99.35","0.02","114.48","0.03","80.64","0.02","985","4","293","","","","","","","","","","evaporation of a saturated 50/50% H~2~O/ethanol solution","5","P -1","-P 1","2","","","","- C21 H28 Cl N2 O2 -","- C21 H24 Cl N2 O2 -","- C42 H48 Cl2 N4 O4 -","2","1","PA1108","Brouant, P.; Giorgi, M.","9-(4-Methyl-1-piperazinyl)-9,10-dihydro-9,10-ethanoanthracene Hydrochloride Dihydrate (Trazitilin)","Acta Crystallographica Section C","1995","51","3","434","436","10.1107/S0108270194007274","","","0.71073","MoKα","","","0.051","","","0.054","","","","","0.854","0.854","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003292","8.323","0.004","10.569","0.005","17.022","0.01","90","","100.15","0.02","90","","1473.9","1.3","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","Baccatin III derivative","","- C26 H44 O8 Si -","- C26 H44 O8 Si -","- C52 H88 O16 Si2 -","2","1","PA1126","Chiaroni, A.; Guénard, D.; Guéritte-Voegelein, F.; Khuong-Huu, F.; Py, S.; Riche, C.; Wahl, A.","A Baccatin III Derivative","Acta Crystallographica Section C","1995","51","3","465","468","10.1107/S0108270194007341","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003293","10.579","0.002","11.618","0.002","11.886","0.003","90","","110.293","0.008","90","","1370.2","0.5","298","","298","","","","","","","","from diethyl ether/pentane (1:1) solution","4","P 1 21/c 1","-P 2ybc","14","","(2RS,1'SR)-4,4-Dimethyl-1-hydroxy-2-[1'-phenethyl]pyrrolidine","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","PA1132","Bernardinelli, G.; Oppolzer, W.; Spivey, A. C.","(2<i>RS</i>)-4,4-Dimethyl-2-[(1<i>SR</i>)-1-phenylethyl]-1-pyrrolidinol","Acta Crystallographica Section C","1995","51","3","529","530","10.1107/S0108270194009686","","","0.7093","MoKα","","0.162","0.071","","0.047","0.044","","","","2.107","2.89","2.89","","","","","has coordinates","191030","2020-10-21","18:00:00",""
"2003294","33.657","0.003","5.1305","0.0003","16.0816","0.001","90","","92.368","0.008","90","","2774.6","0.3","293","2","293","2","","","","","","","Therabel Research, Bruxelles","5","C 1 2/c 1","-C 2yc","15","Nimesulide","4-nitro-2-phenoxymethanesulfonanilide","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C104 H96 N16 O40 S8 -","8","1","PA1137","Dupont, L.; Pirotte, B.; Masereel, B.; Delarge, J.; Geczy, J.","Nimesulide","Acta Crystallographica Section C","1995","51","3","507","509","10.1107/S0108270194010334","","","1.5418","CuKα","","0.0638","0.0401","","0.1325","0.1146","","","","1.088","1.248","1.248","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003295","11.7356","0.001","13.5707","0.0014","12.4426","0.0011","90","","110.975","0.008","90","","1850.3","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Univ. of Liege","5","P 1 21/n 1","-P 2yn","14","","N-Cyano-N'-Isopropyl-N""-((4-(3'-Methylphenylamino)Pyrid-3-yl)Sulfonyl) Guanidine","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","1","PA1139","Dupont, L.; Masereel, B.; de Tullio, P.; Pirotte, B.; Delarge, J.","<i>N</i>^2^-Cyano-<i>N</i>^1^-isopropyl-<i>N</i>^3^-[4-(3-methylphenylamino)-3-pyridylsulfonyl]guanidine","Acta Crystallographica Section C","1995","51","3","505","507","10.1107/S0108270194010346","","","1.5418","CuKα","","0.0565","0.0387","","0.1129","0.106","","","","0.983","1.099","1.099","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003296","6.7639","0.0002","8.0105","0.0001","9.3111","0.0001","95.703","0.001","106.774","0.001","92.499","0.002","479.254","0.017","293","2","293","2","","","","","","","diffusion of petroleum ether into a solution of (1) in ethyl acetate","5","P 1","P 1","1","","(5R,6S,7R,9R,13S,14R)-7-Chloro-7-cyano-4,5-epoxy-3,6-dimethoxy-N-methyl- 6,14-ethenoisomorphinane","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","1","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0476","0.0475","","0.1362","0.136","","","","1.126","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003297","7.5252","0.0005","9.398","0.001","17.29","0.0007","90","","90","","90","","1222.78","0.16","293","2","293","2","","","","","","","slow evaporation of chloroform solution of (2)","4","P 21 21 21","P 2ac 2ab","19","","1-Methoxy-5,5,6,6-tetracyanobicyclo[2.2.2]oct-3-ene","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C52 H40 N16 O4 -","4","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0535","0.0527","","0.1421","0.1407","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003298","20.076","0.002","6.831","0.002","20.113","0.001","90","","90","","90","","2758.3","0.9","293","","","","","","","","","","Kristallisation (Propanol/Hexan)","4","P n a 21","P 2c -2n","33","","","","- C24 H30 N10 O8 -","- C24 H30 N10 O8 -","- C96 H120 N40 O32 -","4","1","SH1093","Gzella, A.; Wrzeciono, U.","Struktur der Molekularverbindung von 3,5-Dinitroindazol und Piperidin. 39. Azole","Acta Crystallographica Section C","1995","51","3","484","487","10.1107/S0108270194008930","","","1.54178","CuKα","","","0.035","","","0.034","","","","","2.8675","2.8675","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003299","9.452","0.006","14.33","0.016","11.826","0.004","90","","112.98","0.04","90","","1475","2","295","","","","","","","","","","recrystallization from DMSO","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C72 H76 N12 -","4","1","VJ1005","Parihar, D. S.; Bohra, R.; Prasad, R. N.; Nagar, P. N.","An Imidazo[1,2-<i>a</i>]pyrazine Derivative, C~18~H~19~N~3~","Acta Crystallographica Section C","1995","51","3","482","484","10.1107/S0108270194009017","","","0.71069","MoKα","","","0.048","","","0.05","","","","","0.51","0.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003300","8.877","0.002","12.179","0.003","9.734","0.002","90","","106.11","0.02","90","","1011","0.4","294","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","VJ1006","Bidya Sagar, M.; Ravikumar, K.; Rama Rao, A. V.; Machender Reddy, M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). II. Structure of a β-Epoxy Steroid","Acta Crystallographica Section C","1995","51","3","451","454","10.1107/S0108270194008589","","","0.71069","MoKα","","","0.046","","","0.053","","","","","0.952","0.952","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003301","9.24","0.002","10.761","0.002","15.217","0.003","90","","90","","90","","1513.1","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","VJ1007","Ravikumar, K.; Chandra Mohan, K.; Shekharam, T.; Yadav, J. S.","The Diels‒Alder Reaction Product of β-Ionone and Maleic Anhydride","Acta Crystallographica Section C","1995","51","3","449","451","10.1107/S010827019401067X","","","0.71073","MoKα","","","0.039","","","0.045","","","","","0.884","0.884","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003302","6.6532","0.0006","7.1539","0.0004","20.3786","0.0013","90","","93.473","0.007","90","","968.17","0.12","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","3'-methoxy spiro [bicyclo[3.1.0] hexane-6,16'-estra [1,3,5(10)] triene]-17'-one","","- C24 H30 O2 -","- C24 H30 O2 -","- C48 H60 O4 -","2","1","AB1170","Hooft, R. W. W.; Kroon, J.","3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one","Acta Crystallographica Section C","1995","51","4","721","723","10.1107/S0108270194008899","","","1.54184","CuKα","","","0.03","","","0.034","","","","","0.18","0.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003303","10.716","0.001","17.431","0.004","35.029","0.007","90","","90","","90","","6543","2","295","","295","","","","","","","","The title compound was prepared by the interaction of cis-[PtCl~2~(PMe~2~Ph)~2~] with triphenylsilane in boiling benzene--triethylamine solution (Chatt, Earborn, Ibekwe & Kapoor, 1967). Single crystals were formed on cooling to room temperature.","6","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Cl P2 Pt Si -","- C34 H34 Cl P2 Pt Si -","- C272 H272 Cl8 P16 Pt8 Si8 -","8","1","AB1204","Kapoor, P.; Lövqvist, K.; Oskarsson, Å.","The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]","Acta Crystallographica Section C","1995","51","4","611","613","10.1107/S0108270194011170","","","0.7107","MoKα","","","0.0299","","","0.0336","","","","","1.302","1.302","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003304","9.604","0.006","9.994","0.004","16.072","0.005","90","","103.68","0.03","90","","1498.9","1.2","173","1","173","1","","","","","","","Crystals of (I) were grown by slow evaporation of an aqueous acetone solution at room temperature.","3","P 1 21 1","P 2yb","4","3-O-benzoyl-4,6:4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribotrehalose","3-O-benzoyl-4,6-O-benzylidene-2-deoxy-α-D-ribohexopyranosyl 4,6-O- benzylidene-2-deoxy-α-D-ribohexopyranoside","","- C33 H34 O10 -","- C33 H34 O10 -","- C66 H68 O20 -","2","1","AB1243","Linden, A.; Lee, C. K.","3-<i>O</i>-Benzoyl-4,6;4',6'-di-<i>O</i>-benzylidene-2,2'-dideoxy-α,α-<i>ribo</i>-trehalose","Acta Crystallographica Section C","1995","51","4","747","751","10.1107/S010827019401440X","","","0.71069","MoKα","","0.0804","0.0416","","0.0347","0.0317","","","","","1.577","1.577","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003305","9.326","0.002","11.991","0.003","7.964","0.001","94.58","0.02","105.39","0.02","113.84","0.03","767.5","0.4","297","","","","","","","","","","chemical synthesis","4","P -1","-P 1","2","","5-Ethoxymethyl-1-[1-ethyl-2,4-dioxo-5- (pyrimidinyl)methyl]uracil","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C28 H36 N8 O10 -","2","1","AS1096","Yamaguchi, K.; Tanaka, H.; Matsumoto, K.; Kittaka, A.; Miyasaka, T.","A Dimeric Uracil Derivative","Acta Crystallographica Section C","1995","51","4","754","756","10.1107/S0108270194001034","","","1.5405","CuKα~1~","","","0.042","","","0.043","","","","","1.81","1.81","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003306","11.549","0.003","3.756","0.001","16.442","0.008","90","0.03","104.94","0.03","90","0.02","689.1","0.4","298","","","","","","","","","","from water solution","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N O3 -","- C8 H5 N O3 -","- C32 H20 N4 O12 -","4","1","AS1104","Miao, F.-M.; Wang, J.-L.; Miao, X.-S.","<i>N</i>-Hydroxyphthalimide","Acta Crystallographica Section C","1995","51","4","712","713","10.1107/S0108270194007638","","","0.71073","MoKα","","","0.041","","","0.045","","","","","0.685","0.685","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003307","7.847","0.002","12.691","0.003","7.395","0.002","101.77","0.02","116.2","0.02","74.31","0.02","633.1","0.3","293","","","","","","","","","","chemical synthesis","7","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 O S V -","- C10 H8 Cl2 N2 O S V -","- C20 H16 Cl4 N4 O2 S2 V2 -","2","1","AS1119","Kondo, M.; Kawata, S.; Kitagawa, S.; Kiso, H.; Munakata, M.","An Oxovanadium(IV) Complex Chelated by Dipyridyl Sulfide","Acta Crystallographica Section C","1995","51","4","567","569","10.1107/S0108270194008127","","","0.71069","MoKα","","","0.035","","","0.04","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003308","6.985","0.004","16.056","0.022","16.566","0.017","81.92","0.1","85.05","0.07","79.34","0.08","1804","3","133","","","","","","","","","","natural product isolated from the powdered roots of Phormium cookianum","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","4","AS1120","Gainsford, G. J.","Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol","Acta Crystallographica Section C","1995","51","4","709","712","10.1107/S0108270194009753","","","0.71073","MoKα","","","0.051","","","0.111","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003309","7.043","0.002","18.142","0.007","7.238","0.002","90","","96.44","0.02","90","","919","0.5","133","","","","","","","","","","natural product isolated from Phormium cookianum","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","AS1120","Gainsford, G. J.","Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol","Acta Crystallographica Section C","1995","51","4","709","712","10.1107/S0108270194009753","","","0.71073","MoKα","","","0.04","","","0.052","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003310","10.127","0.002","4.87","0.002","15.811","0.002","90","","106.61","0.01","90","","747.2","0.4","296","","","","","","","","","","evaporation from 50% ethanol","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","AS1128","Okabe, N.; Kohyama, Y.","Homogentisic Acid","Acta Crystallographica Section C","1995","51","4","761","763","10.1107/S0108270194010176","","","0.71069","MoKα","","","0.051","","","0.049","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003311","10.114","0.003","12.013","0.009","9.368","0.004","122.59","0.04","90.11","0.03","98.31","0.04","944.6","1","298","","298","","","","","","","","","4","P -1","-P 1","2","Samarium Octamolybdate","dodecaaquasamarium octamolybdate hexahydrate","","- H36 Mo8 O45 Sm2 -","- Mo8 O45 Sm2 -","- Mo8 O45 Sm2 -","1","0.5","AS1146","Yamase, T.; Ozeki, T.; Kawashima, I.","Photoluminescent Samarium Octamolybdate","Acta Crystallographica Section C","1995","51","4","545","547","10.1107/S0108270194012205","","","0.71069","MoKα","","","0.061","","","0.061","","","","","2.11","2.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003312","11.844","0.001","12.871","0.001","15.237","0.002","90","","90","","90","","2322.8","0.4","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromo[bis(o-N,N-dimethylaminomethylphenyl)methylsilanol]cobalt(II)","","- C19 H28 Br2 Co N2 O Si -","- C19 H28 Br2 Co N2 O Si -","- C76 H112 Br8 Co4 N8 O4 Si4 -","4","1","BK1030","Baggio, R. F.; Garland, M. T.; Manzur, J.; Spodine, E.","[Bis(<i>o</i>-dimethylaminomethylphenyl)methylsilanol-<i>N</i>,<i>O</i>]dibromocobalt(II)","Acta Crystallographica Section C","1995","51","4","602","604","10.1107/S0108270194009200","","","0.71073","MoKα","","0.056","0.039","","0.055","0.049","","","","","0.83","0.83","","","","","has coordinates","194583","2020-10-21","18:00:00",""
"2003313","11.832","0.003","14.05","0.003","18.049","0.003","90","","90","","90","","3000.5","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium bis(mercaptobenzoato)(cis-dioxomolibdato(VI))","","- C26 H40 Mo N2 O6 S2 -","- C26 H40 Mo N2 O6 S2 -","- C104 H160 Mo4 N8 O24 S8 -","4","1","BK1032","Li-Kao, J.; González, O.; Baggio, R. F.; Garland, M. T.; Carrillo, D.","Bis(triethylammonium) Bis(2-mercaptobenzoato-<i>O</i>,<i>S</i>)dioxomolybdate(VI)","Acta Crystallographica Section C","1995","51","4","575","578","10.1107/S0108270194011236","","","0.71073","MoKα","","0.0441","0.033","","0.0879","0.08","","","","1.044","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003314","7.36","0.002","9.793","0.002","19.369","0.002","90","","90","","90","","1396","0.5","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl2 O2 Pt S2 -","- C8 H18 Cl2 O2 Pt S2 -","- C32 H72 Cl8 O8 Pt4 S8 -","4","1","BK1039","De Azevedo, Jnr, W. F.; Mascarenhas, Y. P.; De Sousa, G. F.; Filgueiras, C. A. L.","<i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II)","Acta Crystallographica Section C","1995","51","4","619","621","10.1107/S0108270194009868","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003315","9.138","0.002","9.172","0.003","13.598","0.006","103.34","0.03","92.01","0.03","114.3","0.02","999.8","0.6","153","","","","","","","","","","from (Me~3~Si)~3~SiLi and Cl-SiMe~2~-SiMe~2~-Cl","3","P -1","-P 1","2","","","","- C22 H66 Si10 -","- C22 H66 Si10 -","- C22 H66 Si10 -","1","0.5","BK1051","Lambert, J. B.; Pflug, J. L.; Allgeier, A. M.; Campbell, D. J.; Higgins, T. B.; Singewald, E. T.; Stern, C. L.","A Branched Polysilane","Acta Crystallographica Section C","1995","51","4","713","715","10.1107/S0108270194009704","","","0.71069","MoKα","","","0.024","","","0.033","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003316","10.734","0.003","13.096","0.004","13.712","0.004","72.34","0.02","72.07","0.02","71.82","0.02","1695.9","0.9","188","1","188","1","","","","","","","","4","P -1","-P 1","2","","(N-[Methoxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene)","","- C40 H34 N2 O9 -","- C41 H30 N2 O9.5 -","- C82 H60 N4 O19 -","2","1","BK1061","Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.","Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A","Acta Crystallographica Section C","1995","51","4","782","786","10.1107/S0108270194010231","","","0.71073","MoKα","","0.0576","0.0437","","0.0563","0.0543","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003317","10.747","0.003","11.529","0.003","11.661","0.002","89.82","0.02","70.51","0.02","67.43","0.02","1244.7","0.6","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","(N-[Adamantyloxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene)","","- C30 H31 N O5 -","- C31 H27 N O5 -","- C62 H54 N2 O10 -","2","1","BK1061","Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.","Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A","Acta Crystallographica Section C","1995","51","4","782","786","10.1107/S0108270194010231","","","0.71073","MoKα","","0.0678","0.053","","0.0713","0.0692","","","","","2.297","2.297","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003318","12.491","0.001","12.368","0.001","15.655","0.001","90","","109.72","0.01","90","","2276.7","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N Ni P2 -","- C21 H35 N Ni P2 -","- C84 H140 N4 Ni4 P8 -","4","1","BK1063","VanderLende, D. D.; Boncella, J. M.; Abboud, K. A.","<i>trans</i>-[Ni(Me~3~Ph)(NHPh)(PMe~3~)~2~], a Monomeric Ni^II^‒Amide Complex","Acta Crystallographica Section C","1995","51","4","591","593","10.1107/S0108270194011534","","","0.71073","MoKα","","","0.0445","","","0.0478","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003319","6.197","0.001","9.348","0.002","9.713","0.002","83.9","0.01","84.97","0.01","85.85","0.02","556.2","0.19","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone","Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","1","0.5","BK1067","Raptova, L.; Rapta, M.; Horak, V.","Ethylenediamine-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-2,2'-di-6-<i>tert</i>-butyl-1,4-benzoquinone","Acta Crystallographica Section C","1995","51","4","734","736","10.1107/S0108270194011091","","","0.71073","MoKα","","0.0769","0.0531","","0.1598","0.1372","","","","1.021","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003320","9.415","0.003","8.103","0.002","11.957","0.003","90","","90","","90","","912.2","0.4","130","2","130","2","","","","","","","","5","P m n 21","P 2ac -2","31","aminobenzyl-dioxocyclam nickel(II)","(6-(p-aminobenzyl)-1,4,8,11-tetraazacyclotetradecane-5,7-dione)nickel(II)","","- C17 H25 N5 Ni O2 -","- C17 H25 N5 Ni O2 -","- C34 H50 N10 Ni2 O4 -","2","0.5","BK1076","Moran, J. K.; Olmstead, M. M.; Meares, C. F.","An Aminobenzyldioxocyclam Nickel(II) Complex","Acta Crystallographica Section C","1995","51","4","621","623","10.1107/S0108270194011753","","","0.71073","MoKα","","0.0345","0.0291","","0.0709","0.0667","","","","1.022","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003321","13.778","0.002","13.2816","0.0013","26.188","0.003","90","","90","","90","","4792.2","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","azidotetrakis(trimethylphosphine)nickel(II) tetrafluoroborate","","- C12 H36 B F4 N3 Ni P4 -","- C12 H36 B F4 N3 Ni P4 -","- C96 H288 B8 F32 N24 Ni8 P32 -","8","1","BK1077","Carson, C. C.; Pike, R. D.; Carpenter, G. B.","Azidotetrakis(trimethylphosphine)nickel(II) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","4","595","598","10.1107/S0108270194010553","","","0.71073","MoKα","","0.1242","0.0577","","0.1529","0.1337","","","","0.852","1.106","1.106","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003322","22.5","0.003","6.0128","0.0005","13.254","0.0015","90","","102.446","0.01","90","","1751","0.3","183","1","183","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,7-Dimethoxybenzo[c]furan","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","1","BK1080","Lynch, V. M.; Fairhurst, R. A.; Magnus, P.; Davis, B. E.","4,7-Dimethoxybenzo[<i>c</i>]furan","Acta Crystallographica Section C","1995","51","4","780","782","10.1107/S0108270194010152","","","0.71073","MoKα","","0.0569","0.0374","","0.0463","0.0416","","","","","1.302","1.302","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2003323","15.818","0.002","15.818","0.002","7.087","0.001","90","","90","","120","","1535.7","0.3","297","","","","","","","","","","Paraiba, Brazil","6","R 3 m :H","R 3 -2""","160","","","","- Al8 B3 Li Na O31 Si6 -","- Al6 B3 Li3 Na O31 Si6 -","- Al18 B9 Li9 Na3 O93 Si18 -","3","0.166667","BR1070","MacDonald, D. J.; Hawthorne, F. C.","Cu-Bearing Tourmaline from Paraiba, Brazil","Acta Crystallographica Section C","1995","51","4","555","557","10.1107/S0108270194008243","","","0.71073","MoKα","","","0.022","","","0.025","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003324","15.805","0.002","15.805","0.002","7.084","0.001","90","","90","","120","","1532.5","0.3","297","","","","","","","","","","Paraiba, Brazil","6","R 3 m :H","R 3 -2""","160","","","","- Al8 B3 Li Na O31 Si6 -","- Al6 B3 Li3 Na O31 Si6 -","- Al18 B9 Li9 Na3 O93 Si18 -","3","0.166667","BR1070","MacDonald, D. J.; Hawthorne, F. C.","Cu-Bearing Tourmaline from Paraiba, Brazil","Acta Crystallographica Section C","1995","51","4","555","557","10.1107/S0108270194008243","","","0.71073","MoKα","","","0.02","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003325","5.833","0.002","6.593","0.003","7.73","0.003","80.97","0.03","81.11","0.03","76.43","0.03","283.2","0.2","293","2","293","2","","","","","","","Hydrothermal synthesis from NiCl~2~.6H~2~O and NaVO~3~.","4","P -1","-P 1","2","Nickel(II) Metavanadate Monohydrate","Nickel(II) divanadium(V)hexaoxide monohydrate","","- H4 Ni2 O14 V4 -","- Ni2 O14 V4 -","- Ni2 O14 V4 -","1","0.5","BR1075","Marcos, M. D.; Amorós, P.; Beltrán-Porter, A.; Ramírez de Arellano, M. C.","Hydrothermal Synthesis and Structure of Nickel(II) Metavanadate Monohydrate, NiV~2~O~6~.H~2~O","Acta Crystallographica Section C","1995","51","4","552","555","10.1107/S0108270194006797","","","0.71073","MoKα","","0.0575","0.0487","","0.1359","0.1284","","","","1.088","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003326","8.889","0.001","7.998","0.001","12.237","0.001","90","","103.82","0.01","90","","844.79","0.16","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 Cs2 Ga2 O7 -","- B2 Cs2 Ga2 O7 -","- B8 Cs8 Ga8 O28 -","4","1","BR1078","Smith, R. W.","Cs~2~Ga~2~O(BO~3~)~2~","Acta Crystallographica Section C","1995","51","4","547","549","10.1107/S0108270194009418","","","0.71069","MoKα","","","0.054","","","0.069","","","","","2.53","2.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003327","7.805","0.001","15.157","0.002","6.094","0.001","100.9","0.01","92.99","0.01","86.71","0.01","706.12","0.18","296","","296","","","","","","","","","5","P -1","-P 1","2","","carbonic dihydrazide, bis(3-fluorophenylmethylene)-","","- C15 H12 F2 N4 O -","- C15 H12 F2 N4 O -","- C30 H24 F4 N8 O2 -","2","1","CR1090","Meyers, C. Y.; Kolb, V. M.; Robinson, P. D.","Dimeric Hydrogen-Bonded Structure of Bis(3-fluorophenylmethine)carbonohydrazide","Acta Crystallographica Section C","1995","51","4","775","777","10.1107/S0108270194011492","","","0.71069","MoKα","","","0.044","","","0.051","","","","","1.92","1.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003328","8.109","0.003","11.845","0.005","12.364","0.005","71.08","0.03","76.82","0.03","87.62","0.03","1093.1","0.8","298","","","","","","","","","","Recrystallization from chloroform","4","P -1","-P 1","2","","","","- C10 H10 Cl2 Zr -","- C10 H10 Cl2 Zr -","- C40 H40 Cl8 Zr4 -","4","2","CR1136","Corey, J. Y.; Zhu, X.-H.; Brammer, L.; Rath, N. P.","Zirconocene Dichloride","Acta Crystallographica Section C","1995","51","4","565","567","10.1107/S0108270194011509","","","0.71073","MoKα","","","0.032","","","0.0379","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003329","6.718","0.002","12.27","0.004","13.273","0.004","64.19","0.02","81.76","0.02","89.25","0.02","973.3","0.6","295","","","","","","","","","","W. Zajac, Villanova Univ.","4","P -1","-P 1","2","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","2","CR1141","George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.","3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~","Acta Crystallographica Section C","1995","51","4","703","706","10.1107/S0108270194011868","","","0.71069","MoKα","","","0.05","","","0.048","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003330","7.169","0.001","10.875","0.001","13.842","0.002","90","","90","","90","","1079.2","0.2","295","","","","","","","","","","W. Zajac, Villanova Univ.","4","P 21 c n","P -2n 2a","33","","","","- C9 H11 N3 O6 -","- C9 H11 N3 O6 -","- C36 H44 N12 O24 -","4","1","CR1141","George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.","3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~","Acta Crystallographica Section C","1995","51","4","703","706","10.1107/S0108270194011868","","","1.5418","CuKα","","","0.032","","","0.042","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003331","12.61","0.003","16.038","0.004","12.106","0.003","111.51","0.02","107.92","0.02","94.07","0.02","2120.1","1","294","","294","","","","","","","","Synthesis (Legzdins, Rettig & S\'anchez, 1988)","6","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)nitrosyl(trimethylsilylmethyl) (N-trimethylsilylmethyl-N-nitrosohydroxylaminato)tungsten","","- C13 H27 N3 O3 Si2 W -","- C13 H27 N3 O3 Si2 W -","- C52 H108 N12 O12 Si8 W4 -","4","2","CR1148","Evans, S. V.; Legzdins, P.; Rettig, S. J.; Sánchez, L.; Trotter, J.","A Tungsten Nitrosyl Complex","Acta Crystallographica Section C","1995","51","4","584","586","10.1107/S0108270194010942","","","0.7093","MolybdenumKα~1~","","","0.05","","","0.046","","","","","1.54","1.54","","","","","has coordinates","190984","2020-10-21","18:00:00",""
"2003332","10.0077","0.0006","10.0077","0.0006","7.4342","0.0008","90","","90","","120","","644.81","0.09","295","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F O12 Sr5 V3 -","- F0.98 Nd0.061 O12 Sr4.909 V2.916 -","- F1.96 Nd0.122 O24 Sr9.818 V5.832 -","2","0.166667","DU1084","Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.","Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F","Acta Crystallographica Section C","1995","51","4","549","551","10.1107/S0108270194006906","","","0.71069","MoKα","","","0.022","","","0.027","","","","","0.87","0.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003333","9.7156","0.0004","9.7156","0.0004","7.281","0.0003","90","","90","","120","","595.2","0.04","295","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F O12 P3 Sr5 -","- F Nd0.027 O12 P2.925 Sr4.959 -","- F2 Nd0.054 O24 P5.85 Sr9.918 -","2","0.166667","DU1084","Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.","Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F","Acta Crystallographica Section C","1995","51","4","549","551","10.1107/S0108270194006906","","","0.71069","MoKα","","","0.023","","","0.029","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003334","9.987","0.004","12.937","0.004","8.921","0.002","90","","90","","90","","1152.6","0.6","295","","","","","","","","","","benzene-acetic acid (9:1)","3","P 21 21 2","P 2 2ab","18","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","FG1008","Parvez, M.; Simion, D.; Lario, P.; Sorensen, T. S.","Absolute Configuration of (<i>S</i>,<i>S</i>)-1,2-Dihydro-1,2-<i>trans</i>-acenaphthylenedicarboxylic Acid","Acta Crystallographica Section C","1995","51","4","644","646","10.1107/S0108270194011480","","","0.71069","MoKα","","","0.0414","","","0.0457","","","","","1.97","1.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003335","8.155","0.013","8.546","0.008","8.681","0.011","102.47","0.09","117.42","0.11","93.41","0.11","515.5","1.3","291","2","291","2","","","","","cooling to 253 K","","","4","P -1","-P 1","2","","Bis(η^5^-indenyl)tetrakis(μ~2~-iodo)dimolybdenum","","- C18 H14 I4 Mo2 -","- C18 H14 I4 Mo2 -","- C18 H14 I4 Mo2 -","1","0.5","FG1020","Falvello, L. R.; Mattamana, S. P.; Poli, R.","Bis(η^5^-indenyl)tetrakis(μ-iodo)dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1995","51","4","569","571","10.1107/S010827019400870X","","","0.71073","MoKα","","0.0755","0.0467","","0.1148","0.101","","","","1.02","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003336","12.398","0.002","10.057","0.001","10.177","0.001","90","","109.65","0.01","90","","1195","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(R*,R*)-α-(1-Methoxy-3-methylenecyclopropyl)-cyclohexanemethanol","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","FG1036","Delanghe, P. H. M.; Lautens, M.; Lough, A. J.","Two Highly Substituted Methylenecyclopropanes","Acta Crystallographica Section C","1995","51","4","700","703","10.1107/S0108270194011182","","","0.71073","MoKα","","0.1272","0.0511","","0.412","0.0799","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003337","11.29","0.002","19.433","0.002","11.782","0.002","90","","118.22","0.02","90","","2277.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(R*,R*)-α-(1-Methyl-3-methylenecyclopropyl)-cyclohexanemethanol","","- C12 H20 O -","- C12 H20 O -","- C96 H160 O8 -","8","2","FG1036","Delanghe, P. H. M.; Lautens, M.; Lough, A. J.","Two Highly Substituted Methylenecyclopropanes","Acta Crystallographica Section C","1995","51","4","700","703","10.1107/S0108270194011182","","","0.71073","MoKα","","0.2353","0.0515","","0.0743","0.061","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003338","10.497","0.002","17.505","0.006","9.903","0.003","90","","113.46","0.05","90","","1669.3","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(isopropyldiphenylphosphineoxide)diiodocobalt(II)","","- C30 H34 Co I2 O2 P2 -","- C30 H34 Co I2 O2 P2 -","- C60 H68 Co2 I4 O4 P4 -","2","1","FG1037","Bauer, S. K.; Willis, C. J.; Payne, N. C.","Diiodobis(isopropyldiphenylphosphine oxide-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1995","51","4","586","588","10.1107/S0108270194010978","","","0.71073","MoKα","","0.0481","0.0354","","0.0965","0.0865","","","","1.064","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003339","18.205","0.002","7.282","0.002","11.022","0.002","90","","100.62","0.02","90","","1436.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1,1'-Ferrocenediyl)methylphenylsilane","","- C17 H16 Fe Si -","- C17 H16 Fe Si -","- C68 H64 Fe4 Si4 -","4","1","FG1039","Foucher, D. A.; Lough, A. J.; Manners, I.; Rasburn, J.; Vancso, J. G.","The First Unsymmetrically Substituted Ring-Tilted Silicon-Bridged [1]Ferrocenophane","Acta Crystallographica Section C","1995","51","4","580","582","10.1107/S010827019401190X","","","0.71073","MoKα","","0.0738","0.0399","","0.0501","0.0468","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003340","8.976","0.001","10.8","0.001","27.401","0.003","90","","90","","90","","2656.3","0.5","293","","","","","","","","","","Recrystallized from methanol","3","P 21 21 21","P 2ac 2ab","","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","1","GR0163","Wang, Q.; Tu, Y.","A New Bioactive β-Dihydroagarofuran Sesquiterpenoid","Acta Crystallographica Section C","1995","51","4","732","734","10.1107/S0108270193005219","","","0.7093","MoKα","","","0.037","","","0.035","","","","","0.241","0.241","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003341","6.027","0.003","11.177","0.003","10.715","0.004","90","","97.03","0.04","90","","716.4","0.5","100","0.2","100","0.2","","","","","","","Reaction of 1,4,7-triazacyclononane with (MeO)~2~CHNMe~2~. A clear oil was obtained by vacuum distillation.","3","P 1 21/n 1","-P 2yn","14","","1,4,7-triazatricyclo[5.2.1.0^4.10^]decane","","- C7 H13 N3 -","- C7 H13 N3 -","- C28 H52 N12 -","4","1","HA1126","Blake, A. J.; Fallis, I. A.; Gould, R. O.; Harris, S. G.; Parsons, S.; Ross, S. A.; Schröder, M.","1,4,7-Triazatricyclo[5.2.1.0^4,10^]decane at 100 K","Acta Crystallographica Section C","1995","51","4","738","741","10.1107/S0108270194009546","","","0.71073","MoKα","","0.0868","0.0607","","0.192","0.1578","","","","1.029","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003342","5.294","0.002","7.718","0.002","13.274","0.004","83.57","0.02","84.65","0.02","74.94","0.02","519.3","0.3","296","","296","","","","","","","","Synthesized at UMIST","4","P -1","-P 1","2","","2-(2,6-Difluorophenyl)-1,3-dithiane","","- C10 H10 F2 S2 -","- C10 H10 F2 S2 -","- C20 H20 F4 S4 -","2","1","HA1127","Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.","2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation","Acta Crystallographica Section C","1995","51","4","772","775","10.1107/S0108270194011364","","","0.71069","MoKα","","","0.0297","","","0.0343","","","","","2.159","2.159","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003343","5.257","0.002","7.332","0.002","15.474","0.005","87.61","0.03","85.91","0.03","78.47","0.03","582.7","0.3","296","","296","","","","","","","","Synthesized at UMIST","5","P -1","-P 1","2","","2-(2,6-Difluorophenyl)-1,3-dithiane-1,1,3,3-tetraoxide","","- C10 H10 F2 O4 S2 -","- C10 H10 F2 O4 S2 -","- C20 H20 F4 O8 S4 -","2","1","HA1127","Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.","2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation","Acta Crystallographica Section C","1995","51","4","772","775","10.1107/S0108270194011364","","","0.71069","MoKα","","","0.0301","","","0.0356","","","","","1.492","1.492","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003344","12.392","0.002","5.694","0.0011","19.951","0.003","90","","98.13","0.13","90","","1393.6","0.6","153","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C8 H18 O4 S4 -","- C8 H18 O4 S4 -","- C32 H72 O16 S16 -","4","0.5","HH1027","Freeman, F.; Ma, X.-B.; Ziller, J. W.; Lin, R. I.","Bis(<i>tert</i>-butylsulfonyl) Disulfide","Acta Crystallographica Section C","1995","51","4","661","663","10.1107/S010827019400781X","","","0.71073","MoKα","","","0.041","","","0.045","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003345","5.9314","0.0008","18.92","0.003","15.866","0.002","90","","91.474","0.012","90","","1779.9","0.4","168","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 S -","- C24 H20 S -","- C96 H80 S4 -","4","1","HH1053","Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.","3-Benzyl-5-phenyl-2-<i>p</i>-tolylthiophene","Acta Crystallographica Section C","1995","51","4","657","659","10.1107/S0108270194007833","","","0.71073","MoKα","","","0.043","","","0.055","","","","","2.23","2.23","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003346","7.3431","0.0013","7.6239","0.0017","12.2209","0.002","78.411","0.016","78.381","0.014","79.439","0.015","649.2","0.2","158","","","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 S2 -","- C32 H30 S2 -","- C32 H30 S2 -","1","0.5","HH1054","Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.","(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(<i>p</i>-tolylmethylthio)-1,3-butadiene","Acta Crystallographica Section C","1995","51","4","659","661","10.1107/S0108270194007845","","","0.71073","MoKα","","","0.043","","","0.049","","","","","1.42","1.42","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003347","15.034","0.002","15.034","0.002","7.187","0.002","90","","90","","120","","1406.8","0.5","296","","","","","","","","","","acetone recrystallization","4","P 32","P 32","","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C63 H84 N6 O6 -","3","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","0.048","0.048","","0.054","0.052","","","","","","","","","","","has coordinates","281832","2023-03-13","07:38:35",""
"2003348","11.949","0.001","13.284","0.001","11.504","0.001","90","","90","","90","","1826","0.3","296","","","","","","","","","","acetone recrystallization","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","","0.042","","","0.05","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003349","8.205","0.002","14.321","0.005","12.838","0.004","90","","107.73","0.02","90","","1436.9","0.8","293","","","","","","","","","","Phillips (1959)","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","HR1008","Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W.","2-Methyl-2-(2-methylphenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","4","707","709","10.1107/S010827019400867X","","","0.71073","MoKα","","","0.0529","","","0.0565","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003350","7.383","0.001","11.045","0.002","11.253","0.002","92.68","0.02","90.38","0.02","95.93","0.02","911.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1:1 molecular complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(N,N-dimethylamino)-trans-cinnamic acid","","","- C20 H16 F5 N O4 -","- C20 H16 F5 N O4 -","- C40 H32 F10 N2 O8 -","2","1","HR1028","Goud, B. S.; Reddy, P. K.; Panneerselvam, K.; Desiraju, G. R.","1:1 Molecular Complex of 2,3,4,5,6-Pentafluoro-<i>trans</i>-cinnamic Acid and 4-(<i>N</i>,<i>N</i>-Dimethylamino)-<i>trans</i>-cinnamic Acid","Acta Crystallographica Section C","1995","51","4","683","685","10.1107/S0108270194007894","","","0.71073","MoKα","","0.0479","0.0329","","0.0919","0.0875","","","","0.909","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003351","13.945","0.008","6.751","0.008","19.326","0.003","90","","101.4","0.9","90","","1784","6","293","","","","","","","","","","From layering a solution of (I) in CHCl~3~ with petroleum (333-363 K)--piperidine","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 Br4 N4 -","- C44 H26 Br4 N4 -","- C88 H52 Br8 N8 -","2","0.5","HU1026","Zou, J.-Z.; Xu, Z.; Li, M.; You, X.-Z.; Wang, H.-Q.","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin, C~44~H~26~Br~4~N~4~","Acta Crystallographica Section C","1995","51","4","760","761","10.1107/S0108270194000053","","","0.71073","MoKα","","","0.074","","","0.081","","","","","3.89","3.89","","","","","has coordinates","204127","2020-10-21","18:00:00",""
"2003352","9.475","0.001","8.57","0.001","9.194","0.001","90","","97.43","0.009","90","","740.29","0.14","293","","","","","","","","","","recrystallized from CH~2~Cl~2~","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 I2 S4 -","- C8 H12 I2 S4 -","- C16 H24 I4 S8 -","2","0.5","HU1090","Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L.","Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane)","Acta Crystallographica Section C","1995","51","4","697","700","10.1107/S0108270194010267","","","0.71069","MoKα","","","0.047","","","0.061","","","","","0.66","0.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003353","7.221","0.002","7.262","0.001","14.67","0.002","76.97","0.01","82.28","0.01","79.4","0.01","733.2","0.3","150","2","150","2","","","","","","","Synthesis at Dept of Physics, Univ. of Durham","3","P -1","-P 1","2","Z-β-(1-diethylmethylimmonium)-α-cyano-4-styryldicyanomethanide","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","HU1101","Cole, J. C.; Howard, J. A. K.; Cross, G. H.; Szablewski, M.","(<i>Z</i>)-{4-[1-Cyano-3-(diethyliminio)-1-propenyl]phenyl}dicyanomethanide, a Novel `Blue Window' Zwitterionic Molecule for Non-Linear Optics","Acta Crystallographica Section C","1995","51","4","715","718","10.1107/S0108270194006487","","","0.71073","MoKα","","0.0965","0.0417","","0.0866","0.0729","","","","1.181","1.28","1.28","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003354","10.06","0.002","19.793","0.004","10.251","0.002","90","","118.9","0.1","90","","1787","1.8","20","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C56 H100 Cl4 N4 O16 Ru4 S4 -","2","1","HU1111","Capper, G.; Davies, D. L.; Fawcett, J.; Russell, D. R.","[(η^6^-C~6~H~3~Me~3~)Ru(D-pen)]~2~Cl~2~.4H~2~O","Acta Crystallographica Section C","1995","51","4","578","580","10.1107/S0108270194010218","","","0.7107","MoKα","","","0.0406","","","0.0434","","","","","1.096","1.096","","","","","has coordinates","191022","2020-10-21","18:00:00",""
"2003355","8.563","0.003","21.871","0.001","27.728","0.011","90","","90","","90","","5193","3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(acetonitrile)copper(I) hexafluorophosphate(V) Acetonitrile solvate (1/1)","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","HU1132","Black, J. R.; Levason, W.; Webster, M.","Tetrakis(acetonitrile-<i>N</i>)copper(I) Hexafluorophosphate(V) Acetonitrile Solvate","Acta Crystallographica Section C","1995","51","4","623","625","10.1107/S0108270194012527","","","0.71069","MoKα","","","0.0539","","","0.0678","","","","","1.09","1.09","","","","","has coordinates","288350","2023-12-15","17:45:49",""
"2003356","9.684","0.002","12.764","0.002","16.773","0.003","76.84","0.01","75.11","0.01","71.03","0.01","1871.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Octacarbonyl-μ-hydrido-dimanganese-μ~3~-cyclohexylphosphanido-gold-tri- cyclohexylphosphine","","- C32 H45 Au Mn2 O8 P2 -","- C32 H45 Au Mn2 O8 P2 -","- C64 H90 Au2 Mn4 O16 P4 -","2","1","JZ1018","Flörke, U.; Haupt, H.-J.","Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ~3~-[cyclohexylphosphanido(2-)]-μ-hydrido-1:2κ^2^<i>H</i>-tricyclohexylphosphine-3κ<i>P</i>-golddimanganese(<i>Mn</i>—<i>Mn</i>)","Acta Crystallographica Section C","1995","51","4","573","575","10.1107/S0108270194011522","","","0.71073","MoKα","","0.0574","0.0397","","0.0935","0.0852","","","","1.022","1.039","1.039","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003357","19.053","0.006","11.451","0.003","19.309","0.003","90","","96.62","0.02","90","","4184.7","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 O -","- C25 H25 N3 O -","- C200 H200 N24 O8 -","8","1","KA1084","Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.","Two Antithrombotic Quinazolone Derivatives","Acta Crystallographica Section C","1995","51","4","723","726","10.1107/S0108270194003938","","","1.5418","CuKα","","0.1066","0.0578","","0.2101","0.1641","","","","1.041","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003358","7.423","0.001","20.54","0.001","9.1829","0.0007","90","","101.448","0.008","90","","1372.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","KA1084","Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.","Two Antithrombotic Quinazolone Derivatives","Acta Crystallographica Section C","1995","51","4","723","726","10.1107/S0108270194003938","","","1.5418","CuKα","","0.0657","0.053","","0.1602","0.1454","","","","1.122","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003359","8.8937","0.0006","7.7404","0.0006","9.5873","0.0006","90","","91.528","0.009","90","","659.76","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7,7-Dibromo-3-dibromomethylene-2,2-dimethyl-1-hydroxy-8,9,10,trinorbornane","","- C10 H12 Br4 O -","- C10 H12 Br4 O -","- C20 H24 Br8 O2 -","2","1","KA1095","Kubicki, M.; Dutkiewicz, G.; Antkowiak, W. Z.","7,7-Dibromo-3-dibromomethylene-2,2-dimethylnorbornan-1-ol","Acta Crystallographica Section C","1995","51","4","736","738","10.1107/S0108270194009406","","","1.54178","CuKα","","0.033","0.0329","","0.091","0.0909","","","","1.094","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003360","8.756","0.004","14.611","0.006","18.979","0.008","90","","101.21","0.04","90","","2381.7","1.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1,10-phenanthroline)bis(dicyanamide)copper(II)","","- C28 H16 Cu N10 -","- C28 H16 Cu N10 -","- C112 H64 Cu4 N40 -","4","1","KA1097","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.","Bis(dicyanamide)bis(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","1995","51","4","600","602","10.1107/S0108270194012084","","","0.71069","MoKα","","0.1193","0.0405","","0.1177","0.0933","","","","0.686","0.79","0.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003361","7.353","0.009","10.805","0.007","9.959","0.011","90","","93.2","0.1","90","","790","1.4","148","2","148","2","","","","","","","slow evaporation from hexane","3","P 1 21 1","P 2yb","4","diosphenol","(Z)-12-hydroxy-14,15-dinorlabda-8(17),11-dien-13-one","","- C18 H28 O2 -","- C18 H28 O2 -","- C36 H56 O4 -","2","1","KH1019","Grant, P. K.; Hanton, L. R.; Wong, G.","(<i>Z</i>)-12-Hydroxy-14,15-dinorlabda-8(17),11-dien-13-one, C~18~H~28~O~2~","Acta Crystallographica Section C","1995","51","4","743","744","10.1107/S0108270194014551","","","0.71069","MoKα","","0.0683","0.0517","","0.1464","0.1357","","","","0.973","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003362","9.672","0.002","11.69","0.002","19.184","0.004","90","","95.12","0.02","90","","2160.4","0.7","293","","","","","","","","","","Crystallized from acetonitrile","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N5 O0.5 -","- C10 H12 N5 O0.5 -","- C80 H96 N40 O4 -","8","2","LI1108","Janes, R. W.; Palmer, R. A.","3,5-Diamino-6-(2-methylphenyl)-1,2,4-triazine Monohydrate: an Analogue of Lamotrigine","Acta Crystallographica Section C","1995","51","4","685","688","10.1107/S0108270194009352","","","1.54178","CuKα","","","0.0566","","","0.0767","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003363","8.236","0.003","14.967","0.004","24.032","0.005","90","","90","","90","","2962.4","1.5","293","","293","","","","","","","","recrystallized from a mixture of chloroform and ethanol","4","P 21 21 21","P 2ac 2ab","19","","P-chlorophenyl-3,4,6-tri-O-benzyl-2-deoxy-2-methylene-β-D-glucopyranoside","","- C34 H33 Cl O5 -","- C34 H33 Cl O5 -","- C136 H132 Cl4 O20 -","4","1","LI1117","Kabaleeswaran, V.; Rajan, S. S.; Booma, C.; Balasubramanian, K. K.","<i>p</i>-Chlorophenyl 3,4,6-Tri-<i>O</i>-benzyl-2-deoxy-2-methylene-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","4","758","759","10.1107/S0108270194010711","","","1.5418","CuKα","","0.071","0.042","","0.085","0.047","","","","0.65","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003364","10.648","0.002","12.589","0.003","18.594","0.004","90","","90","","90","","2492.5","0.9","233","","233","","","","","","","","synthesized at UMIST","5","P b c a","-P 2ac 2ab","61","","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1H,4H-indeno[1,2-c]pyrazole","","- C13 H8 F6 N2 O -","- C13 H8 F6 N2 O -","- C104 H64 F48 N16 O8 -","8","1","LI1130","Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E.","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole","Acta Crystallographica Section C","1995","51","4","770","772","10.1107/S0108270194011881","","","0.71069","MoKα","","","0.0387","","","0.0458","","","","","1.15","1.15","","","","","has coordinates,has disorder","200173","2020-10-21","18:00:00",""
"2003365","7.447","0.001","10.387","0.002","30.082","0.01","90","","90","","90","","2326.9","0.9","298","","","","","","","","","","synthesis","5","P 21 n b","P -2bc 2a","33","","","","- C14 H36 Cl4 N2 Zn -","- C14 H36 Cl4 N2 Zn -","- C56 H144 Cl16 N8 Zn4 -","4","1","MU1079","Guo, N.; Lin, Y.-H.; Xi, S.-Q.","Bis(<i>n</i>-heptylammonium) Tetrachlorozincate","Acta Crystallographica Section C","1995","51","4","617","619","10.1107/S0108270194009248","","","0.71073","MoKα","","","0.053","","","0.045","","","","","1.181","1.181","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003366","9.601","0.002","13.69","0.002","14.808","0.002","90","","100.83","0.01","90","","1911.7","0.6","183","","","","","","","","","","crystallization from hexane","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N Ti -","- C20 H32 N Ti -","- C80 H128 N4 Ti4 -","4","1","MU1104","Brady, E.; Telford, J. R.; Mitchell, G.; Lukens, W.","Amidobis(pentamethylcyclopentadienyl)titanium(III)","Acta Crystallographica Section C","1995","51","4","558","560","10.1107/S0108270194005792","","","0.71073","MoKα","","","0.0353","","","0.0447","","","","","1.988","1.988","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003367","6.179","0.001","11.534","0.001","11.609","0.002","90","","95.79","0.01","90","","823.1","0.2","290","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 Ni S4 -","- C10 H20 N2 Ni S4 -","- C20 H40 N4 Ni2 S8 -","2","0.5","MU1109","Selvaraju, R.; Panchanatheswaran, K.; Thiruvalluvar, A.; Parthasarathi, V.","Redetermination of Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)nickel(II)","Acta Crystallographica Section C","1995","51","4","606","608","10.1107/S0108270194010292","","","0.71073","MoKα","","","0.032","","","0.033","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003368","12.835","0.003","17.596","0.003","16.015","0.003","90","","90","","90","","3616.9","1.2","298","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C104 H176 Cl16 O8 P8 Pt8 S8 -","4","0.5","MU1113","Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L.","The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~","Acta Crystallographica Section C","1995","51","4","604","606","10.1107/S0108270194009108","","","0.71069","MoKα","","","0.0383","","","0.0428","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003369","11.925","0.001","13.293","0.003","16.314","0.002","90","","99.21","0.01","90","","2552.7","0.7","295","","","","","","","","","","from CH~2~Cl~2~/hexane","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl2 P2 Pd -","- C26 H24 Cl2 P2 Pd -","- C104 H96 Cl8 P8 Pd4 -","4","1","MU1120","Singh, S.; Jha, N. K.; Narula, P.; Singh, T. P.","<i>cis</i>-Dichloro[bis(diphenylphosphino)ethane]palladium(II)","Acta Crystallographica Section C","1995","51","4","593","595","10.1107/S0108270194007560","","","1.5418","CuKα","","","0.084","","","0.084","","","","","3.22","3.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003370","8.931","0.002","11.303","0.006","9.143","0.002","90","","103.47","0.02","90","","897.6","0.6","293","1","","","","","","","","","Slow diffusion of water into a methanol solution at 277 K","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H24 B10 Si -","- C11 H24 B10 Si -","- C22 H48 B20 Si2 -","2","0.5","MU1122","McGrath, T. D.; Welch, A. J.","Steric Effects in Heteroboranes. V. 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1995","51","4","651","654","10.1107/S010827019400908X","","","0.71069","MoKα","","","0.0643","","","0.0892","","","","","1.341","1.341","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003371","9.3854","0.0019","10.2938","0.0026","13.061","0.005","68.607","0.025","70.281","0.024","64.998","0.017","1039.4","0.6","293","1","","","","","","","","","slow diffusion of water into a methanol solution at 277K","4","P -1","-P 1","2","","","","- C14 H30 B10 Si -","- C14 H30 B10 Si -","- C28 H60 B20 Si2 -","2","1","MU1123","McGrath, T. D.; Welch, A. J.","Steric Effects in Heteroboranes. VI. 1-Ph-2-^<i>t^</i>BuMe~2~Si-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1995","51","4","654","657","10.1107/S0108270194009078","","","0.71069","MoKα","","","0.0836","","","0.0939","","","","","1.351","1.351","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003372","10.076","0.001","11.372","0.001","10.571","0.001","90","","100.33","0.02","90","","1191.6","0.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","MU1125","Ravikumar, K.; Swamy, G. Y. S. K.; Venkata Lakshmi, N.","Structure of a Coordination Polymer Reminiscent of the Pleated Sheets Observed in Polypeptides: Diaqua(2,2'-bipyridine-3,3'-dicarboxylato)copper(II)","Acta Crystallographica Section C","1995","51","4","608","611","10.1107/S0108270194009789","","","0.71069","MoKα","","","0.048","","","0.045","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003373","7.997","0.004","9.746","0.006","10.979","0.002","78.87","0.03","70.26","0.03","79.48","0.04","783.8","0.7","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 N2 Ni O4 P2 S4 -","- C26 H34 N2 Ni O4 P2 S4 -","- C26 H34 N2 Ni O4 P2 S4 -","1","0.5","MU1127","Huang, X.-Y.; Xiong, R.-G.; Dong, J.-X.; You, X.-Z.","<i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ2<i>S</i>,<i>S</i>')bis(isoquinoline-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","4","598","600","10.1107/S0108270194011327","","","0.71069","MoKα","","","0.049","","","0.066","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003374","17.519","0.002","7.1971","0.0008","25.835","0.003","90","","90.487","0.011","90","","3257.3","0.6","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 O18 S3 Ti -","- C21 H29 O18 S3 Ti -","- C84 H116 O72 S12 Ti4 -","4","1","MU1139","Aquino, M. A. S.; Clegg, W.; Liu, Q.-T.; Sykes, A. G.","Hexaaquatitanium(III) Tris(<i>p</i>-Toluenesulfonate) Trihydrate","Acta Crystallographica Section C","1995","51","4","560","562","10.1107/S0108270194010826","","","0.71073","MoKα","","0.1138","0.0656","","0.228","0.1722","","","","1.049","1.048","1.048","","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2003375","7.0278","0.0003","10.855","0.0005","15.6339","0.0007","90","","90","","90","","1192.66","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl3 N2 O3 -","- C9 H7 Cl3 N2 O3 -","- C36 H28 Cl12 N8 O12 -","4","1","MU1141","Clegg, W.; Pogue, H. J.; Lowe, M. P.; Butterfield, I. M.; Jackson, R. F. W.","<i>p</i>-Nitrobenzyl Trichloroacetimidate","Acta Crystallographica Section C","1995","51","4","741","743","10.1107/S0108270194010838","","","0.71073","MoKα","","0.0251","0.0228","","0.0623","0.0597","","","","1.041","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003376","12.636","0.003","12.636","0.003","12.636","0.003","90","","90","","90","","2017.6","0.8","153","0.2","153","0.2","","","","","","","The title compound was prepared according to the literature method (Fischer & Boltcher, 1957) and well-formed colourless octahedral crystals were grown by slow evaporation from nitromethane at room temperature.","5","P a -3","-P 2ac 2ab 3","205","","Bis(η^6^-1,3,5-trimethylbenzene)ruthenium(II) tetrafluoroborate","","- C18 H24 B2 F8 Ru -","- C18 H24 B2 F8 Ru -","- C72 H96 B8 F32 Ru4 -","4","0.166667","MU1142","Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.","The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K","Acta Crystallographica Section C","1995","51","4","582","584","10.1107/S0108270194010206","","","0.71073","MoKα","","0.0601","0.0412","","0.182","0.1102","","","","1.171","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003377","12.0761","0.0006","12.2729","0.0006","21.0414","0.0014","90","","90","","90","","3118.5","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H28 N4 O8 Zn2 -","- C28 H28 N4 O8 Zn2 -","- C112 H112 N16 O32 Zn8 -","4","0.5","MU1144","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines","Acta Crystallographica Section C","1995","51","4","613","617","10.1107/S0108270194011315","","","0.71073","MoKα","","0.0418","0.0288","","0.084","0.074","","","","1.062","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003378","10.343","0.002","18.329","0.003","9.671","0.002","90","","117.38","0.02","90","","1628","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 Zn -","- C15 H17 N O4 Zn -","- C60 H68 N4 O16 Zn4 -","4","1","MU1144","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines","Acta Crystallographica Section C","1995","51","4","613","617","10.1107/S0108270194011315","","","0.71073","MoKα","","0.0899","0.0396","","0.1129","0.0851","","","","1.078","1.066","1.066","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003379","21.47","0.006","16.765","0.002","9.6155","0.0014","90","","90","","90","","3461","1.2","150","0.2","150","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(triphenylphosphine)iminium Tetrachloro-oxo-molybdenum(V)","","- C36 H30 Cl4 Mo N O P2 -","- C36 H30 Cl4 Mo N O P2 -","- C144 H120 Cl16 Mo4 N4 O4 P8 -","4","1","MU1151","Blake, A. J.; Parsons, S.; Downs, A. J.; Limberg, C.","Bis(triphenylphosphine)iminium Tetrachlorooxomolybdenum(V) at 150 K","Acta Crystallographica Section C","1995","51","4","571","573","10.1107/S0108270194011303","","","0.71073","MoKα","","0.0546","0.0422","","0.0872","0.078","","","","1.082","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003380","29.835","0.005","19.784","0.002","9.913","0.001","90","","90","","90","","5851.2","1.3","293","","","","","","","","","","Slow evaporation from benzene and acetonitrile solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N10 O11 -","- C52 H71 N10 O11 -","- C208 H284 N40 O44 -","4","1","NA1092","Saviano, M.; Rossi, F.; Filizola, M.; Di Blasio, B.; Pedone, C.","[Aib^5,6^-<small>D</small>-Ala^8^]-Cyclolinopeptide A, Grown from a Benzene/Acetonitrile Mixture","Acta Crystallographica Section C","1995","51","4","663","666","10.1107/S0108270194006864","","","1.54056","CuKα","","","0.068","","","0.071","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003381","16.031","0.003","16.036","0.002","16.821","0.003","90","","113.74","0.01","90","","3958.3","1.2","294","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Cl4 O3 Rh S3 -","- C9 H23 Cl4 O3 Rh S3 -","- C72 H184 Cl32 O24 Rh8 S24 -","8","2","NA1100","Calligaris, M.; Faleschini, P.","Dimethylacetonylsulfonium Tetrachlorobis(dimethyl sulfoxide-<i>S</i>)rhodate(III)","Acta Crystallographica Section C","1995","51","4","588","591","10.1107/S0108270194010425","","","0.71069","MoKα","","","0.033","","","0.035","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003382","9.386","0.001","27.912","0.003","9.463","0.001","90","","115.27","0.02","90","","2241.9","0.6","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","2","NA1107","Didierjean, C.; Aubry, A.; Zouikri, M.; Boussard, G.; Marraud, M.","Z-AzPro-AzPro-OBzl","Acta Crystallographica Section C","1995","51","4","688","690","10.1107/S0108270194012436","","","1.54056","CuKα","","","0.031","","","0.035","","","","","2.37","2.37","","","","","has coordinates","198394","2020-10-21","18:00:00",""
"2003383","10.319","0.001","12.716","0.001","13.9132","0.0007","109.841","0.005","100.207","0.006","101.96","0.008","1618.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibromobis(4-metoxyphenyl)tellurium(IV)","","- C14 H14 Br2 O2 Te -","- C14 H14 Br2 O2 Te -","- C56 H56 Br8 O8 Te4 -","4","2","NA1109","Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Germain, G.; Torres-Castellanos, L.","Dibromobis(4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1995","51","4","639","641","10.1107/S0108270194007122","","","0.71069","MoKα","","0.0592","0.0311","","0.08","0.0776","","","","1.002","1.229","1.229","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003384","15.976","0.004","16.627","0.004","23.67","0.006","90.08","0.02","89.97","0.02","69.16","0.02","5876","3","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","tris[2,3-di(trimethylsilyl)-2,3-dicarba-1-lithia-closo- heptaborane-1κO;4κTb;5κ^2^Tb;6κTb]-tris[2,3-di(trimethylsilyl)-2,3-dicarba- 1-terba-closo-heptaborane-1κO';1κ^4^B;4κLi;5κ^2^Li;6κLi]-tris-μ~4~- tetrahydrofuranyllithium-μ~3~-methoxy-μ~3~-oxide","","- C67 H165 B24 Li6 O5 Si12 Tb3 -","- C67 H165 B24 Li6 O5 Si12 Tb3 -","- C134 H330 B48 Li12 O10 Si24 Tb6 -","2","1","NA1110","Zhang, H.; Oki, A. R.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Trinuclear Terbium(III)‒Carborane Cluster, [C~61~H~159~B~24~Li~6~O~5~Si~12~Tb~3~].C~6~H~6~","Acta Crystallographica Section C","1995","51","4","635","638","10.1107/S0108270194008164","","","0.71073","MoKα","","0.0332","0.0289","","0.0793","0.0737","","","","1.025","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003385","5.518","0.001","13.059","0.005","18.246","0.004","90","","90","","90","","1314.8","0.6","298","","","","","","","","","","from methanolic solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","NA1115","Bombieri, G.; Del Pra, A.; Ayala, D. J.; Stradi, R.; Mantovanini, M.","(<i>S</i>)-({-})-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol <i>N</i>,<i>N</i>'-Dioxide","Acta Crystallographica Section C","1995","51","4","642","644","10.1107/S0108270194012278","","","0.71069","MoKα","","","0.03","","","0.033","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003386","12.653","0.001","11.233","0.001","11.388","0.001","90","","98.4","0.01","90","","1601.2","0.2","295","2","295","2","","","","","","","chemical synthesis (Sannicol\`o, 1994).","3","P 1 21/c 1","-P 2ybc","14","","4H-cyclopenta[2,1-b;3,4-b']dithiophene","","- C9 H6 S2 -","- C9 H6 S2 -","- C72 H48 S16 -","8","2","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.031","","","0.035","","","","","1.951","1.951","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003387","21.792","0.004","21.792","0.004","12.566","0.002","90","","90","","120","","5168","1.6","295","2","295","2","","","","","","","chemical synthesis (Sannicol\'o, 1994).","3","P -3","","","","spiro-[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,1'-cyclopentane]","","- C13 H12 S2 -","- C13 H12 S2 -","- C234 H216 S36 -","18","3","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.034","","","0.035","","","","","1.654","1.654","","","","","has coordinates","266226","2021-06-07","13:35:46",""
"2003388","14.03","0.002","9.009","0.002","16.306","0.005","90","","113.49","0.02","90","","1890.2","0.8","295","2","295","2","","","","","","","chemical synthesis (Sannicol\`o, 1994).","4","P 1 21/c 1","-P 2ybc","14","","4H,6H-dithieno[3,2-c:2',3'-e]oxepine","","- C10 H8 O S2 -","- C10 H8 O S2 -","- C80 H64 O8 S16 -","8","2","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.841","1.841","","","","","has coordinates","266226","2021-06-07","13:35:46",""
"2003389","7.643","0.002","24.604","0.003","7.767","0.001","90","","115.29","0.02","90","","1320.6","0.5","295","2","295","2","","","","","","","chemical synthesis (Sannicoló, 1994).","4","P 1 21/n 1","-P 2yn","14","","6H-4,7,8,10-tetrahydrodithieno[3,2-g,2',3'-i][1,4]dioxacycloundecine,","","- C13 H14 O2 S2 -","- C13 H14 O2 S2 -","- C52 H56 O8 S8 -","4","1","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.032","","","0.038","","","","","2.097","2.097","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003390","7.999","0.001","12.06","0.002","14.93","0.002","90","","102.46","0.01","90","","1406.3","0.4","295","2","295","2","","","","","","","chemical synthesis (Sannicoló, 1994).","4","P 1 21/n 1","-P 2yn","14","","4,6,7,9,10,12-hexahydrodithieno[3,2-c;2',3'-e][1,4,7]trioxacyclotridecine","","- C14 H16 O3 S2 -","- C14 H16 O3 S2 -","- C56 H64 O12 S8 -","4","1","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.035","","","0.046","","","","","2.024","2.024","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003391","14.168","0.002","13.323","0.002","19.47","0.003","90","","106.72","0.01","90","","3519.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 F24 N S Sn -","- C31 H19 F24 N S Sn -","- C124 H76 F96 N4 S4 Sn4 -","4","1","NA1120","Freitag, S.; Herbst-Irmer, R.; Ahlemann, J. T.; Roesky, H. W.","{<i>N</i>-(1-Adamantyl)[(pentafluoro-2-propenyl)thio]-amino}(fluoro)bis[2,4,6-tris(trifluoromethyl)phenyl]tin at 153K","Acta Crystallographica Section C","1995","51","4","631","633","10.1107/S0108270194011996","","","0.71073","MoKα","","0.063","0.0422","","0.1022","0.0895","","","","1.034","1.05","1.05","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003392","10.206","0.002","9.692","0.001","24.498","0.001","90","","91.91","0.02","90","","2421.9","0.5","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","P 1 21/c 1","-P 2ybc","14","","2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepine maleic acid","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","NA1122","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]thiepine Maleic Acid (Metitepine Maleate)","Acta Crystallographica Section C","1995","51","4","777","780","10.1107/S0108270194011637","","","1.54184","CuKα","","0.0674","0.0478","","0.173","0.1492","","","","1.051","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003393","18.06","0.002","10.716","0.001","22.338","0.002","90","","112.89","0.02","90","","3982.7","0.9","295","","295","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1,2-Bis-crown-5-calix [4] arene","","- C44 H52 O10 -","- C44 O10 -","- C176 O40 -","4","1","PA1099","Pèpe, G.; Astier, J.-P.; Estienne, J.; Bressot, C.; Asfari, Z.; Vicens, J.","1,2-Bis-crown-5-calix[4]arene","Acta Crystallographica Section C","1995","51","4","726","729","10.1107/S0108270194002994","","","1.5416","CuKα","","0.11","0.11","","0.11","0.11","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003394","7.799","0.001","8.132","0.002","8.823","0.001","99.48","0.01","93.84","0.01","117.02","0.02","485.24","0.17","293","","","","","","","","","","\'evaporation d'une solution aqueuse","6","P -1","-P 1","2","","","","- C10 H24 Cl4 N4 Pd S2 -","- C10 H24 Cl4 N4 Pd S2 -","- C10 H24 Cl4 N4 Pd S2 -","1","0.5","PA1105","Viossat, B.; Nguyen-Huy, D.; Rodier, N.","Isotypie Entre les Structures Cristallines des Tétrachlorocuprate(II) et Tétrachloropalladate(II) de <i>S</i>,<i>S</i>'-(Octane-1,8-diyle)bis(thiouronium)","Acta Crystallographica Section C","1995","51","4","628","629","10.1107/S0108270194007432","","","0.7107","MoKᾱ","","","0.023","","","0.029","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003395","31.1","0.01","9.452","0.005","9.507","0.004","90","","90","","90","","2795","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 O10 -","- C28 H30 O10 -","- C112 H120 O40 -","4","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.065","","","0.078","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003396","18.548","0.009","11.886","0.005","9.393","0.003","90","","90","","90","","2070.8","1.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O -","- C14 H10 O -","- C112 H80 O8 -","8","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.048","","","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003397","7.813","0.002","11.83","0.002","19.022","0.006","90","","100.61","0.03","90","","1728.1","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Phenyl-4-oxo-tricyclo-3-aza-10-oxa[5.2.1.0^1,5^]-dec-8-ene- 6-carboxylic acid","","- C17 H19 N O5 S -","- C17 H19 N O5 S -","- C68 H76 N4 O20 S4 -","4","1","PA1143","Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.","3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated","Acta Crystallographica Section C","1995","51","4","729","732","10.1107/S010827019401142X","","","1.5418","CuKα","","0.044","0.044","","0.044","0.044","","","","0.74","0.74","0.74","","","","","has coordinates","198395","2020-10-21","18:00:00",""
"2003398","16.961","0.005","13.219","0.002","11.598","0.002","90","","81.41","0.02","90","","2571.2","1","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C120 H104 N8 O32 -","8","1","PA1143","Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.","3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated","Acta Crystallographica Section C","1995","51","4","729","732","10.1107/S010827019401142X","","","1.5418","CuKα","","0.041","0.041","","0.041","0.041","","","","0.93","0.93","0.93","","","","","has coordinates","218197","2020-10-21","18:00:00",""
"2003399","19.051","0.003","26.274","0.004","9.487","0.003","90","","90","","90","","4748.7","1.8","173","1","173","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl- 6,6'-dithiocyanato-α,α-trehalose","2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranosyl 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranoside","","- C44 H40 N2 O17 S4 -","- C44 H40 N2 O17 S4 -","- C176 H160 N8 O68 S16 -","4","1","PA1147","Linden, A.; Lee, C. K.","2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-α,α-trehalose","Acta Crystallographica Section C","1995","51","4","751","754","10.1107/S0108270194011595","","","0.71069","MoKα","","0.0679","0.0373","","0.0423","0.0381","","","","","1.376","1.376","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003400","15.62","0.002","6.887","0.002","13.616","0.002","90","","91.82","0.01","90","","1464","0.5","173","1","173","1","","","","","","","Suitable crystals of the title compound were obtained from aqueous solution.","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethyl-1H-pyrrole-2-carboxamide","","- C7 H10 N2 O -","- C7 H10 N2 O -","- C56 H80 N16 O8 -","8","1","PA1149","Linden, A.; Wright, A. D.; König, G. M.","<i>N</i>,<i>N</i>-Dimethyl-1<i>H</i>-pyrrole-2-carboxamide","Acta Crystallographica Section C","1995","51","4","744","747","10.1107/S0108270194011285","","","0.71069","MoKα","","0.1618","0.0442","","0.0461","0.0353","","","","","1.611","1.611","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003401","6.771","0.004","7.516","0.002","15.765","0.004","85.19","0.02","80","0.02","79.52","0.04","775.8","0.6","293","2","293","2","","","","","","","crystallisation from dry acetone containing small amounts of methanol","5","P -1","-P 1","2","","N-n-octyl-N,N-dimethylammonio acetic acid bromide","","- C12 H26 Br N O2 -","- C12 H26 Br N O2 -","- C24 H52 Br2 N2 O4 -","2","1","SE1060","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","(Carboxymethyl)dimethyloctylammonium Bromide","Acta Crystallographica Section C","1995","51","4","766","768","10.1107/S0108270194006554","","","0.71069","MoKα","","","0.039","","","0.045","","","","","1.604","1.604","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003402","16.154","0.003","16.483","0.006","11.454","0.006","90","","90","","90","","3050","2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","0.71069","MoKα","","","0.082","","","0.062","","","","","4.02","4.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003403","15.676","0.003","16.433","0.005","11.316","0.003","90","","90","","90","","2915","1.3","163","2","163","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","1.54178","CuKα","","","0.06","","","0.045","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003404","15.121","0.002","8.475","0.002","18.357","0.002","90","","105.6","0.02","90","","2265.8","0.7","293","2","293","2","","","","","","","erstmalige Darstellung im st\""ochiometrischen Ansatz aus den Komponenten KI, I~2~, 2.2-Crypt.","6","C 1 2/c 1","-C 2yc","15","Kalium(2.2-Crypt)triiodid","Kalium-1,4,10,13-Tetraoxa-7,16-diazacyclooctadecan-triiodid","","- C12 H26 I3 K N2 O4 -","- C12 H26 I3 K N2 O4 -","- C48 H104 I12 K4 N8 O16 -","4","0.5","SE1068","Tebbe, K.-F.; Kavoosian, A.","Kalium-2,2-Crypt-triiodid","Acta Crystallographica Section C","1995","51","4","562","565","10.1107/S010827019401005X","","","0.71069","MoKα","","0.041","0.0332","","0.1032","0.1003","","","","1.465","1.534","1.534","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003405","9.71","0.001","7.386","0.001","15.236","0.001","90","","90.67","0.01","90","","1092.6","0.2","193","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N Si3 -","- C21 H27 N Si3 -","- C42 H54 N2 Si6 -","2","1","SE1070","Mitzel, N. W.; Riede, J.; Schier, A.; Schmidbaur, H.","Tris(<i>p</i>-tolylsilyl)amine","Acta Crystallographica Section C","1995","51","4","756","758","10.1107/S0108270194012163","","","0.71073","MoKα","","","0.028","","","0.0304","","","","","0.411","0.411","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003406","6.791","0.003","7.554","0.004","18.304","0.007","89.89","0.05","84.06","0.04","81.94","0.08","924.6","0.8","294","","","","","","","","","","","5","P -1","-P 1","2","","N-n-octyl-N,N-dimethylammonio acetic acid bromide","","- C15 H32 Br N O2 -","- C15 H31 Br N O2 -","- C30 H62 Br2 N2 O4 -","2","1","SE1072","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","(Carboxymethyl)dimethylundecylammonium Bromide","Acta Crystallographica Section C","1995","51","4","768","770","10.1107/S0108270194011443","","","0.71073","MoKα","","","0.06","","","0.055","","","","","0.928","0.928","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003407","9.6093","0.0009","9.606","0.001","10.118","0.001","81.581","0.009","77.02","0.01","72.97","0.01","866.93","0.16","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 I Sn -","- C18 H15 I Sn -","- C36 H30 I2 Sn2 -","2","1","TA1013","Ng, S. W.","Triphenyltin Iodide","Acta Crystallographica Section C","1995","51","4","629","631","10.1107/S0108270194012400","","","0.71073","MoKα","","","0.028","","","0.03","","","","","0.403","0.403","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003408","13.944","0.004","5.823","0.002","15.172","0.005","90","","105.86","0.02","90","","1185","0.7","296","","","","","","","","","","from 99.7% ethanol","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O S -","- C14 H13 O S -","- C56 H52 O4 S4 -","4","1","AB1139","He, Y.; Su, G.; Shi, J.","3-(4-Methylphenyl)-1-(3-thienyl)-2-propen-1-one","Acta Crystallographica Section C","1995","51","5","989","991","10.1107/S0108270194008346","","","0.71069","MoKα","","","0.058","","","0.079","","","","","2.4","2.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003409","10.167","0.005","8.797","0.003","13.155","0.007","90","","96.41","0.04","90","","1169.2","0.9","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","AB1153","Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.","Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)","Acta Crystallographica Section C","1995","51","5","880","884","10.1107/S0108270194009480","","","1.5418","CuKα","","","0.055","","","0.064","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003410","10.655","0.005","10.688","0.005","12.575","0.005","119.27","0.03","96.56","0.03","103.23","0.04","1172.1","1.1","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni O2 -","- C28 H28 N2 Ni O2 -","- C56 H56 N4 Ni2 O4 -","2","1","AB1153","Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.","Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)","Acta Crystallographica Section C","1995","51","5","880","884","10.1107/S0108270194009480","","","1.5418","CuKα","","","0.044","","","0.064","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003411","11.6125","0.0009","12.6271","0.0012","16.45","0.0014","86.415","0.007","87.307","0.007","63.307","0.007","2150.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido- closo-1,2-telluracupraoctahydrododecaborane","","- C37 H42 B10 Cl2 Cu2 P2 Te -","- C37 H42 B10 Cl2 Cu2 P2 Te -","- C74 H84 B20 Cl4 Cu4 P4 Te2 -","2","1","AB1219","Thornton-Pett, M.; Kennedy, J. D.; Faridoon; Spalding, T. R.","{<i>exo</i>-2,7,11-μ~3~-[(μ-H)~2~Cu(PPh~3~)]-2-(PPh~3~)-<i>closo</i>-2,1-CuTeB~10~H~8~}.CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","5","840","843","10.1107/S0108270194010917","","","0.71069","MoKα","","0.0546","0.0482","","0.1324","0.1267","","","","1.029","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003412","13.0681","0.0005","6.1093","0.0002","9.7006","0.0003","79.535","0.002","107.879","0.002","93.968","0.002","724.73","0.04","292","","","","","","","","","","","2","P -1","-P 1","2","","endo-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","1","AB1249","Peeran, M.; Wilt, J. W.; Zaluzec, E. J.; Pavkovic, S. F.","<i>endo</i>-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene","Acta Crystallographica Section C","1995","51","5","952","954","10.1107/S0108270195000771","","","1.5418","CuKα","","","0.07","","","0.087","","","","","0.8245","0.8245","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003413","8.382","0.003","14.457","0.004","4.868","0.003","94.84","0.04","104.31","0.04","77.68","0.02","558.1","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","AS1131","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","A 1,2-Dihydrodipyrido[1,2-<i>b</i>:3',2'-<i>d</i>]pyrazol-2-one","Acta Crystallographica Section C","1995","51","5","942","944","10.1107/S0108270194012977","","","0.71069","MoKα","","","0.046","","","0.054","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003414","9.593","0.003","15.915","0.002","11.427","0.002","90","","113.89","0.013","90","","1595.1","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(R)-1,2-diethoxycarbonylethyl] bis(dimethylglyoximato)(diphenylmethylphosphine)cobalt(III)","","- C29 H40 Co N4 O8 P -","- C29 H40 Co N4 O8 P -","- C58 H80 Co2 N8 O16 P2 -","2","1","AS1134","Yamada, T.; Sekine, A.; Uekusa, H.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(<i>R</i>)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III)","Acta Crystallographica Section C","1995","51","5","828","831","10.1107/S0108270194012564","","","0.71073","MoKα","","0.08","0.044","","0.111","0.098","","","","1.028","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003415","13.6382","0.0005","13.9275","0.0008","7.7297","0.0004","90","","90","","90","","1468.23","0.13","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diisopropyl(o-methylphenyl)glyoxylamide","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.055","","","0.067","","","","","8.69","8.69","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003416","15.438","0.002","15.343","0.002","12.685","0.001","90","","90","","90","","3004.6","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-diisopropyl(p-methylphenyl)glyoxylamide","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.081","","","0.074","","","","","6.3","6.3","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003417","16.3","0.008","6.331","0.002","7.461","0.002","90","","95.31","0.05","90","","766.6","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-diisopropyl(m,p-dimethylphenyl)glyoxylamide","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.061","","","0.062","","","","","9.73","9.73","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003418","14.369","0.001","13.5367","0.0007","8.2496","0.0007","90","","102.33","0.009","90","","1567.6","0.2","298","","","","","","","","","","slow evaporation from benzene solution","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","- C64 H56 Cl4 N4 O12 S4 -","4","1","AS1137","Shiraga, T.; Iwamoto, T.; Kashino, S.","<i>N</i>-Phenylsulfonyl-<i>N</i>-<i>o</i>-chlorophenylmethacrylamide, C~16~H~14~ClNO~3~S","Acta Crystallographica Section C","1995","51","5","976","978","10.1107/S010827019401200X","","","1.54178","CuKα","","","0.047","","","0.06","","","","","1.412","1.412","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003419","7.964","0.001","8.859","0.001","13.229","0.002","86.34","0.01","73.71","0.01","88.25","0.01","894","0.2","293","","","","","","","","","","Synthesized","4","P -1","-P 1","2","","N-{3-(3,4-Dimethylphenyl)propyl}-4-hydroxy-3-methoxyphenylactamide","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","AS1152","Park, N.-S.; Park, I. Y.; Lee, J. C.; Kim, Y. B.","KR-25003, a Potent Analgesic Capsaicinoid","Acta Crystallographica Section C","1995","51","5","927","929","10.1107/S0108270194013879","","","1.5418","CuKα","","0.049","0.047","","0.049","0.048","","","","0.526","0.537","0.537","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003420","7.652","0.002","9.716","0.002","11.757","0.003","94.66","0.03","98.25","0.04","104.17","0.04","832.5","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 Fe2 -","- C23 H20 Fe2 -","- C46 H40 Fe4 -","2","1","BK1059","Trnka, T. M.; Kerber, R. C.","An Unexpected By-Product in the Friedel‒Crafts Acrylation of Ferrocene","Acta Crystallographica Section C","1995","51","5","871","873","10.1107/S0108270194012230","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003421","8.649","0.001","10.794","0.001","15.936","0.002","90","","90","","90","","1487.7","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","BK1064","Abboud, K. A.; Malvestiti, I.; Boldea, L.; Walker, M. A.; Battiste, M. A.","An Intramolecular Diels‒Alder Adduct in the Hydroxy-β-ionone Series","Acta Crystallographica Section C","1995","51","5","995","997","10.1107/S0108270194011972","","","0.71073","MoKα","","","0.0516","","","0.053","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003422","7.265","0.002","7.557","0.002","21.91","0.007","90","","90","","90","","1202.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(imidazol-2-yl)aminomethane tris(hydrochloride)","","- C7 H12 Cl3 N5 -","- C7 H12 Cl3 N5 -","- C28 H48 Cl12 N20 -","4","1","BK1097","Mendoza-Díaz, G.; Koolhaas, G. J. A. A.; Driessen, W. L.; Reedijk, J.","Bis(2-imidazolyl)aminomethane Tris(hydrochloride)","Acta Crystallographica Section C","1995","51","5","918","920","10.1107/S010827019401320X","","","0.71073","MoKα","","0.076","0.041","","0.057","0.052","","","","1.611","1.826","1.826","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003423","7.939","0.006","17.82","0.02","8.734","0.009","90","","94.51","0.08","90","","1232","2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3,5-dimethylpyrazolylphosphinato)copper(II)","","- C20 H28 Cu N8 O4 P2 -","- C20 H28 Cu N8 O4 P2 -","- C40 H56 Cu2 N16 O8 P4 -","2","0.5","BK1100","Folkert, S.; Bryan, C. D.; Cordes, A. W.; Tharmaraj, P.; Chandrasekhar, V.","Bis[bis(3,5-dimethyl-1-pyrazolyl)phosphinato]copper(II), [Cu{O~2~P(N~2~C~3~HMe~2~)~2~}~2~]","Acta Crystallographica Section C","1995","51","5","863","865","10.1107/S0108270194013260","","","0.7107","MoKα","","0.053","0.033","","0.059","0.053","","","","","0.94","0.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003424","12.313","0.001","15.335","0.002","16.616","0.002","90","","90","","90","","3137.4","0.6","298","","298","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","Tetrapyridinodiiodocopper(II)zinc(II) pyridine","","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C120 H120 Cu3.68 I8 N24 Zn0.32 -","4","0.25","BR1084","Durand, P. B.; Holt, E. M.","Diiodotetra(pyridine-<i>N</i>)copper(II)zinc(II) Dipyridine","Acta Crystallographica Section C","1995","51","5","850","852","10.1107/S0108270194009285","","","0.71073","MoKα","","","0.0316","","","0.0394","","","","","0.98","0.98","","","","","has coordinates,has disorder","206082","2020-10-21","18:00:00",""
"2003425","13.755","0.002","24.817","0.003","9.101","0.002","90","","90","","90","","3106.7","0.9","294","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cholesteryl-4-vinylbenzoate","","- C36 H52 O2 -","- C36 H52 O2 -","- C144 H208 O8 -","4","1","CR1099","Socci, E. P.; Farmer, B. L.; Chabinyc, M. L.; Fratini, A. V.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-Vinylbenzoate","Acta Crystallographica Section C","1995","51","5","888","891","10.1107/S0108270194008541","","","0.71073","Mo_Kα","","","0.071","","","0.064","","","","","1.912","1.912","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003426","6.6946","0.0002","7.0268","0.0001","8.3216","0.0004","90","","107.21","0.03","90","","373.93","0.06","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 -","- C8 H10 N2 -","- C16 H20 N4 -","2","0.5","CR1126","Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.","Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. I. <i>trans</i>-1,4-Cyclohexanedicarbonitrile","Acta Crystallographica Section C","1995","51","5","1020","1023","10.1107/S0108270194010991","","","0.7093","MoKα","","","0.04","","","0.039","","","","","2.19","2.19","","","","","has coordinates","278309","2022-10-03","09:59:32",""
"2003427","11.92","0.008","6.885","0.005","6.457","0.003","90","","112.14","0.05","90","","490.8","0.6","295","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Br2 N2 -","- C8 H8 Br2 N2 -","- C16 H16 Br4 N4 -","2","0.25","CR1127","Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.","Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. II. <i>trans</i>-1,4-Dibromo-1,4-cyclohexanedicarbonitrile, C~8~H~8~Br~2~N~2~","Acta Crystallographica Section C","1995","51","5","1023","1026","10.1107/S010827019401098X","","","0.7093","MoKα","","","0.037","","","0.037","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003428","14.589","0.003","13.384","0.003","8.158","0.003","90","","91.65","0.03","90","","1592.3","0.8","294","","","","","","","","","","Prof. Harry Wasserman of Yale University","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","CR1130","Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.","<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane","Acta Crystallographica Section C","1995","51","5","904","908","10.1107/S0108270194009959","","","0.71073","Mo-Kα","","","0.047","","","0.058","","","","","1.347","1.347","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003429","8.371","0.003","11.807","0.004","16.704","0.008","90","","103.49","0.03","90","","1605.4","1.1","294","","","","","","","","","","Prof. Harry Wasserman of Yale University","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","CR1130","Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.","<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane","Acta Crystallographica Section C","1995","51","5","904","908","10.1107/S0108270194009959","","","0.71073","Mo-Kα","","","0.042","","","0.056","","","","","1.431","1.431","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003430","12.286","0.003","12.286","0.003","45.744","0.002","90","","90","","90","","6905","2","222","","","","","","","","","","natural product","4","P 43 21 2","P 4nw 2abw","","","","","- C68 H106 Na2 O16 -","- C68 H106 Na2 O16 -","- C272 H424 Na8 O64 -","4","0.5","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","1.54184","CuKα","","","0.055","","","0.079","","","","","1.763","1.763","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2003431","12.9","0.01","17.2","0.02","17.9","0.04","90","","99.79","0.06","90","","3914","10","218","","","","","","","","","","natural product","4","P 1 21 1","","","","","","- C38 H63 Na O9 -","- C40 H58 Na O9 -","- C160 H232 Na4 O36 -","4","2","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","0.71073","MoKα","","","0.044","","","0.06","","","","","1.857","1.857","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003432","9.4029","0.0006","13.6474","0.001","13.1142","0.001","90","","107.806","0.006","90","","1602.3","0.2","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl6 -","- C15 H14 Cl6 -","- C60 H56 Cl24 -","4","1","CR1147","Garcia, J. G.; Fronczek, F. R.","<i>endo</i>-1,10,11,12,13,13-Hexachlorotricyclo[8.2.1.0^2,9^]trideca-11-ene","Acta Crystallographica Section C","1995","51","5","987","989","10.1107/S0108270194011479","","","1.54184","CuKα","","","0.056","","","0.08","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003433","9.4675","0.0012","10.1833","0.0013","8.2964","0.001","112.383","0.004","106.408","0.005","91.788","0.004","700.74","0.16","294","","","","","","","","","","","5","P -1","-P 1","2","","1-benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole","","- C13 H13 N3 O4 S -","- C13 H13 N3 O4 S -","- C26 H26 N6 O8 S2 -","2","1","CR1152","Saadeh, H.; Thompson, C. M.; Fernandez, E.; Pavkovic, S. F.","1-Benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole","Acta Crystallographica Section C","1995","51","5","950","952","10.1107/S0108270194013430","","","0.7107","MoKα","","","0.04","","","0.047","","","","","1.175","1.175","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003434","13.588","0.002","8.286","0.001","14.683","0.002","90","","110.51","0.01","90","","1548.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","JM216","Bis(acetato)-ammine-dichloro-cyclohexylamine platinum(IV)","","- C10 H22 Cl2 N2 O4 Pt -","- C10 H22 Cl2 N2 O4 Pt -","- C40 H88 Cl8 N8 O16 Pt4 -","4","1","CR1156","Neidle, S.; Snook, C. F.; Murrer, B. A.; Barnard, C. F. J.","Bis(acetato)amminedichloro(cyclohexylamine)platinum(IV), an Orally Active Anticancer Drug","Acta Crystallographica Section C","1995","51","5","822","824","10.1107/S0108270194013600","","","1.54051","CuKα","","0.0417","0.037","","0.1147","0.111","","","","0.971","0.981","0.981","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003435","6.025","0.004","7.566","0.004","9.588","0.005","90","","101.64","0.04","90","","428.1","0.4","293","","","","","","","","","","M\'ethanol","4","P 1 c 1","P -2yc","7","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","DU1031","Oddon, Y.; Reboul, J.-P.; Pèpe, G.; Siri, D.; Pucci, B.; Pavia, A. A.","2-Acrylamido-2-hydroxymethylpropan-1,3-diol","Acta Crystallographica Section C","1995","51","5","974","976","10.1107/S0108270194000636","","","1.5418","CuKα","","","0.031","","","0.031","","","","","0.21","0.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003436","9.1937","0.0007","11.121","0.001","20.014","0.001","90","","90","","90","","2046.3","0.3","295","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Ce Mo8 O14 -","- Ce Mo8 O14 -","- Ce8 Mo64 O112 -","8","1","DU1086","Kerihuel, G.; Gougeon, P.","CeMo~8~O~14~, a Third Crystalline Form of the <i>R</i>Mo~8~O~14~ Series (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","5","787","790","10.1107/S0108270194010681","","","0.71073","MoKα","","","0.04","","","0.042","","","","","1.582","1.582","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003439","9.012","0.001","9.012","0.001","8.027","0.001","90","","90","","120","","564.58","0.11","293","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- K3 Nb3 O13 Si2 -","- K3 Nb3 O13 Si2 -","- K6 Nb6 O26 Si4 -","2","0.166667","DU1095","Jaulmes, S.; Launay, S.; Mahé, P.; Quarton, M.","Silicatoniobate de Potassium, K~3~Nb~3~O~6~Si~2~O~7~","Acta Crystallographica Section C","1995","51","5","794","796","10.1107/S0108270194012114","","","0.71073","MoKα","","","0.045","","","0.061","","","","","0.8","0.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003440","5.656","0.001","9.066","0.001","10.42","0.001","109.694","0.01","103.062","0.01","90.688","0.01","487.77","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","o-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C14 H24 N2 O10 P2 -","2","1","DU1096","Ould Abdellahi, M.; Jouini, T.","<i>o</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","922","923","10.1107/S0108270194010668","","","0.712","MoKα","","0.0481","0.0408","","0.1644","0.1449","","","","0.253","0.239","0.239","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003441","16.095","0.001","8.49","0.001","16.907","0.0001","90","0.01","116.104","0.001","90","0.01","2074.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","m-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C56 H96 N8 O40 P8 -","8","2","DU1098","Ould Abdellahi, M.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","924","926","10.1107/S0108270194011558","","","0.71069","MoKα","","0.0727","0.0484","","0.1064","0.1013","","","","1.282","1.42","1.42","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003442","7.932","0.002","7.321","0.002","10.403","0.003","90","","106.93","0.03","90","","577.9","0.3","293","1","","","","","","","","","recrystallization of the commercial product","4","P 1 21/c 1","-P 2ybc","14","","","","- H8 N2 O6 S -","- H8 N2 O6 S -","- H32 N8 O24 S4 -","4","1","DU1099","Mirceva, A.; Golic, L.","Hydroxylammonium Sulfate","Acta Crystallographica Section C","1995","51","5","798","800","10.1107/S0108270194013351","","","0.71069","MoKα","","","0.026","","","0.026","","","","","0.363","0.363","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003443","9.3781","0.0005","8.2216","0.0006","13.5971","0.0006","90","","104.903","0.004","90","","1013.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","para-Anisidinium Dihydrogénophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C28 H48 N4 O20 P4 -","4","1","DU1105","Ben Amor, F.; Soumhi, E. H.; Ould Abdellahi, M.; Jouini, T.","<i>p</i>-Anisidinium Dihydrogénophosphate","Acta Crystallographica Section C","1995","51","5","933","935","10.1107/S0108270194014289","","","0.71069","MoKα","","0.0441","0.0394","","0.106","0.1033","","","","1.13","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003444","13.428","0.002","11.78","0.002","12.318","0.002","90","","115.4","0.01","90","","1760.1","0.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl3 Mn N2 O3 -","- C16 H14 Cl3 Mn N2 O3 -","- C64 H56 Cl12 Mn4 N8 O12 -","4","1","FG1002","Horwitz, C. P.; Dailey, G. C.; Tham, F. S.","Aquachloro[bis(5-chlorosalicylidene)ethylenediaminato]manganese(III)","Acta Crystallographica Section C","1995","51","5","815","817","10.1107/S0108270194012308","","","0.71069","MoKα","","","0.0311","","","0.0416","","","","","1.0829","1.0829","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003445","14.936","0.004","15.088","0.004","25.727","0.006","90","","92.44","0.02","90","","5792","3","113","","113","","","","","","","","Cram et al. (1987)","4","P 1 21/n 1","-P 2yn","14","","41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene dichloromethane clathrate","","- C65 H66 Cl2 O8 -","- C65 H66 Cl4 O8 -","- C260 H264 Cl16 O32 -","4","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","1.54184","CuKα","","0.077","0.07","","0.081","0.076","","","","2.81","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003446","14.117","0.006","27.796","0.009","14.845","0.004","90","","94.29","0.03","90","","5809","3","115","","115","","","","","","","","Cram et al. (1987)","3","P 1 21/n 1","-P 2yn","14","","41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene ethanol clathrate","","- C66 H70 O9 -","- C70 H64 O11 -","- C280 H256 O44 -","4","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","1.54184","CuKα","","0.087","0.082","","0.088","0.085","","","","3.48","3.53","3.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003447","17.088","0.005","19.691","0.006","20.392","0.006","90","","90","","90","","6861","4","115","","115","","","","","","","","Cram et al. (1987)","5","P n a m","-P 2c 2n","62","","Octamethoxy-octamethylnonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1 ^17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39-tetracosaene cesium perchlorate dichloromethane clathrate","","- C65 H66 Cl3 Cs O12 -","- C65 H66 Cl6 Cs O12 -","- C260 H264 Cl24 Cs4 O48 -","4","0.5","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","0.71073","MoKα","","0.152","0.091","","0.108","0.079","","","","1.62","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003448","7.924","0.002","11.433","0.003","25.541","0.006","79.12","0.02","83.61","0.02","87.6","0.02","2257.7","1","296","","296","","","","","","","","Cram et al. (1987)","3","P -1","-P 1","2","","41,42,43,44,45,46,47,48-Octamethoxynonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1^ 17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39 -tetracosaene","","- C56 H48 O8 -","- C57 H48 O9 -","- C114 H96 O18 -","2","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","0.71073","MoKα","","0.191","0.112","","0.109","0.096","","","","1.21","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003449","19.942","0.003","19.942","0.003","10.294","0.002","90","","90","","90","","4093.8","1.2","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","(1R*, 2R*, 3R*, 4R*, 7R*)-2,4,7-trimethylcyclohept-5-ene-1,3-diol","","- C10 H18 O2 -","- C10 H18 O2 -","- C160 H288 O32 -","16","1","FG1032","Colucci, J.; Gajda, C.; Lautens, M.; Lough, A. J.","Product of an <i>S</i>~<i>N~</i>2' Ring-Opening Reaction, (1<i>R</i>*,2<i>R</i>*,3<i>R</i>*,4<i>R</i>*,7<i>R</i>*)-2,4,7-Trimethylcyclohept-5-ene-1,3-diol","Acta Crystallographica Section C","1995","51","5","912","914","10.1107/S0108270194011194","","","0.71073","MoKα","","0.1651","0.04","","0.1092","0.0785","","","","1.012","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003450","11.071","0.003","18.283","0.003","6.865","0.004","90","","90","","90","","1389.6","0.9","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α,α-galactotrehalose","α-D-galactopyranosyl α-D-galactopyranoside","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","1","FG1050","Linden, A.; Lee, C. K.","α,α-<i>galacto</i>-Trehalose","Acta Crystallographica Section C","1995","51","5","1012","1016","10.1107/S0108270194014204","","","0.71069","MoKα","","0.0364","0.0315","","0.0311","0.0306","","","","","1.949","1.949","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003451","8","0.004","10.162","0.004","7.198","0.002","107.69","0.03","100.23","0.03","73.48","0.03","531.8","0.4","123","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C24 H28 O6 -","2","1","HA1129","Yufit, D. S.; Kozhushkov, S. I.; de Mejere, A.","<i>trans</i>-2-[(Dispiro[2.0.2.1]hept-7-yl)carbonyl]-3-methyl-β-propiolactone","Acta Crystallographica Section C","1995","51","5","948","950","10.1107/S0108270194012333","","","0.71073","MoKα","","","0.038","","","0.037","","","","","2.78","2.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003452","5.035","0.001","11.684","0.001","21.792","0.003","90","","90.54","0.02","90","","1281.9","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O4 S -","- C11 H16 N2 O4 S -","- C44 H64 N8 O16 S4 -","4","1","HA1134","MacNicol, D. D.; Mallinson, P. R.","<i>N</i>,<i>N</i>-Diethyl-4-(methylsulfonyl)-2-nitroaniline","Acta Crystallographica Section C","1995","51","5","926","927","10.1107/S0108270194012916","","","0.71069","MoKα","","","0.044","","","0.053","","","","","2.3","2.3","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003453","6.742","0.001","9.005","0.005","15.932","0.002","92.96","0.02","95.78","0.01","94.45","0.02","957.7","0.6","293","2","293","2","","","","","","","Dr K. Horspool, Aston Univ.","5","P -1","-P 1","2","","3-(2-chlorethyl)-3,3,4-dihydro-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8- carboxylic acid","","- C7 H6 Cl N5 O3 -","- C7 H6 Cl N5 O3 -","- C28 H24 Cl4 N20 O12 -","4","2","HA1135","Lowe, P. R.; Schwalbe, C. H.","8-Acid Derivative of the Antitumour Agent Mitozolomide","Acta Crystallographica Section C","1995","51","5","937","939","10.1107/S0108270194012321","","","0.71069","MoKα","","0.0596","0.0423","","0.1282","0.1238","","","","1.116","1.237","1.237","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003454","13.467","0.001","9.304","0.001","15.752","0.002","90","","109.11","0.01","90","","1864.9","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 Ni O7 -","- C16 H22 N4 Ni O7 -","- C64 H88 N16 Ni4 O28 -","4","1","HR1020","Skoulika, S.; Michaelides, A.; Aubry, A.","Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate","Acta Crystallographica Section C","1995","51","5","843","846","10.1107/S0108270194012709","","","1.5418","CuKα","","","0.058","","","0.071","","","","","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003455","12.827","0.001","9.416","0.001","15.716","0.001","90","","109.33","0.01","90","","1791.2","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 Ni O7 -","- C14 H22 N4 Ni O7 -","- C56 H88 N16 Ni4 O28 -","4","1","HR1020","Skoulika, S.; Michaelides, A.; Aubry, A.","Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate","Acta Crystallographica Section C","1995","51","5","843","846","10.1107/S0108270194012709","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.886","1.886","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003456","8.6449","0.001","9.9416","0.001","12.892","0.002","90","","94.96","0.09","90","","1103.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium 4-Sulfonatobenzoic acid dihydrate","","- C7 H9 K O7 S -","- C7 H9 K O7 S -","- C28 H36 K4 O28 S4 -","4","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0583","0.0335","","0.0859","0.0812","","","","1.063","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003457","6.0576","0.001","6.7412","0.001","12.479","0.002","90.278","0.01","95.841","0.01","106.379","0.01","486.07","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium 4-sulfonatobenzoic acid monohydrate","","- C7 H7 K O6 S -","- C7 H7 K O6 S -","- C14 H14 K2 O12 S2 -","2","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0343","0.0304","","0.087","0.085","","","","1.095","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003458","6.3113","0.001","7.5404","0.001","9.8868","0.001","103.832","0.01","99.202","0.01","100.707","0.01","438.5","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium 4-sulfonatobenzoic acid","","- C7 H5 K O5 S -","- C7 H5 K O5 S -","- C14 H10 K2 O10 S2 -","2","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0438","0.0299","","0.0849","0.0821","","","","1.07","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003459","6.646","0.003","20.599","0.006","13.458","0.005","90","","90.61","0.05","90","","1842.3","1.2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sodium 6-Amino-5-(2-carboxyphenyl)azouracil Heptahydrate","","- C11 H22 N5 Na O11 -","- C11 H22 N5 Na O11 -","- C44 H88 N20 Na4 O44 -","4","1","HU1133","Kivekäs, R.; Pajunen, A.; Colacio, E.; Dominquez-Vera, J. M.; Romerosa, A.","Heptahydrated Monosodium Salt of 6-Amino-5-(2-carboxyphenyl)azouracil","Acta Crystallographica Section C","1995","51","5","939","942","10.1107/S0108270194012539","","","0.71073","MoKα","","0.081","0.081","","0.061","0.061","","","","1.421","1.421","1.421","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003460","9.569","0.0001","17.651","0.002","13.485","0.002","90","","94.26","0.02","90","","2271.4","0.4","293","1","293","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","cis,trans-dibromobis(4-methylpyridine) 2,2^'^-bipyridine tungsten(II)","","- C22 H22 Br2 N4 W -","- C22 H22 Br2 N4 W -","- C88 H88 Br8 N16 W4 -","4","1","HU1136","Leban, I.; Brenčič, J. V.; Čeh, B.","<i>cis</i>,<i>trans</i>-(2,2'-Bipyridine-<i>N</i>,<i>N</i>')dibromobis(4-methylpyridine-<i>N</i>)tungsten(II)","Acta Crystallographica Section C","1995","51","5","817","820","10.1107/S0108270194012540","","","0.7093","MoKα","","0.0993","0.0447","","0.1065","0.0893","","","","0.988","1.07","1.07","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003461","10.568","0.004","10.622","0.006","8.545","0.004","106.39","0.04","107.5","0.03","83.38","0.04","877.1","0.8","24","","297","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","2","HU1137","Fortes, A. G.; Johnstone, R. A. W.; Whittaker, D.; Lewis, N. J.","Fortesyl 2-Phenylpropionate. An Example of a Novel Hydrocarbon Skeleton Containing Three Fused Five-Membered Rings","Acta Crystallographica Section C","1995","51","5","914","916","10.1107/S0108270194012552","","","0.71069","MoKα","","","0.0712","","","0.068","","","","","2.245","2.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003462","11.095","0.007","15.692","0.008","15.173","0.007","90","","109.83","0.04","90","","2485","2","295","","","","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 Cl4 O5 Ru2 S5 -","- C10 H30 Cl4 O5 Ru2 S5 -","- C40 H120 Cl16 O20 Ru8 S20 -","4","1","JZ1006","Ghosh, P.; Pramanik, A.","Tetrachloropentakis(dimethyl sulfoxide)diruthenium(II)","Acta Crystallographica Section C","1995","51","5","824","825","10.1107/S0108270194012448","","","0.71073","MoKα","","","0.0548","","","0.0631","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003463","8.133","0.002","11.056","0.002","18.658","0.005","102.27","0.02","91.02","0.02","99.77","0.02","1613.1","0.7","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl2 Mn N6 O8.5 -","- C30 H24 Cl2 Mn N6 O13 -","- C60 H48 Cl4 Mn2 N12 O26 -","2","1","JZ1009","Chen, X.-M.; Wang, R.-Q.; Xu, Z.-T.","Tris(2,2'-bipyridine)manganese(II) Perchlorate Hemihydrate","Acta Crystallographica Section C","1995","51","5","820","822","10.1107/S0108270194012242","","","0.71073","MoKα","","","0.0583","","","0.0736","","","","","3.02","3.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003464","13.457","0.001","14.082","0.002","18.845","0.001","90","","105.86","0.01","90","","3435.2","0.6","127","2","127","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratoanganese(III)","","- C36 H44 Cl Mn N4 O4 -","- C36 H44 Cl Mn N4 O4 -","- C144 H176 Cl4 Mn4 N16 O16 -","4","1","JZ1011","Cheng, B.; Scheidt, W. R.","(2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratomanganese(III)","Acta Crystallographica Section C","1995","51","5","825","828","10.1107/S0108270194013181","","","0.71073","MoKα","","0.0612","0.0463","","0.117","0.109","","","","1.067","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003465","7.834","0.002","10.052","0.001","10.467","0.001","82.818","0.008","68.423","0.008","75.53","0.02","741.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate","trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate","","- C11 H14 Cl2 F4 N2 O Os -","- C11 H14 Cl2 F4 N2 O Os -","- C22 H28 Cl4 F8 N4 O2 Os2 -","2","1","JZ1020","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>trans</i>-Dichlorotetrafluoroosmate(IV) Hydrate, <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsF~4~Cl~2~].H~2~O","Acta Crystallographica Section C","1995","51","5","865","867","10.1107/S0108270194011960","","","0.71069","MoKα","","0.0366","0.0202","","0.0611","0.0484","","","","1.143","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003466","24.166","0.003","8.903","0.003","11.84","0.003","90","","95.074","0.003","90","","2537.4","1.1","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-N'-[1,1'-ditiobis(phenylene)]bis(5'-metoxy-salicylideneimine)","","- C28 H24 N2 O4 S2 -","- C28 H24 N2 O4 S2 -","- C112 H96 N8 O16 S8 -","4","0.5","KA1077","Ruiz-Pérez, C.; González-Platas, J.; Rodríguez-Romero, F. V.; Gili, P.; Martín-Zarza, P.; Martín-Reyes, G.; Solans, X.","4,4'-Dimethoxy-2,2'-[dithiobis(<i>o</i>-phenylenenitrilomethylidyne)]diphenol","Acta Crystallographica Section C","1995","51","5","1016","1018","10.1107/S0108270194008760","","","0.71073","MoKα","","","0.039","","","0.065","","","","","0.879","0.879","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003467","9.976","0.004","29.601","0.006","14.189","0.005","90","","107.74","0.02","90","","3991","2","223","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 N3 O2 P2 Re S3 -","- C40 H35 N3 O2 P2 Re S3 -","- C160 H140 N12 O8 P8 Re4 S12 -","4","1","KA1086","Hübener, R.; Abram, U.; Strähle, J.","<i>trans</i>-Hydroxotris(isothiocyanato)bis(triphenylphosphine)rhenium(IV) Methanol Solvate","Acta Crystallographica Section C","1995","51","5","876","878","10.1107/S0108270194008498","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.286","1.286","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2003468","8.478","0.003","8.386","0.003","16.719","0.007","90","","92.73","0.03","90","","1187.3","0.8","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","KA1096","Sudha, L.; Subramanian, K.; Sivaraman, J.; Ramakrishnan, V. T.; Steiner, Th.; Koellner, G.","5-(Isopropylamino)-8-methyl-2-quinolone","Acta Crystallographica Section C","1995","51","5","1026","1028","10.1107/S0108270194012813","","","1.54184","CuKα","","","0.0747","","","0.089","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003469","17.721","0.002","19.714","0.002","10.49","0.001","90","","90","","90","","3664.7","0.7","293","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,1-Dimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro1-silanaphtho- [1,2 c] furan","","- C17 H30 O Si2 -","- C17 H30 O Si2 -","- C136 H240 O8 Si16 -","8","1","KA1100","Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P.","<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K","Acta Crystallographica Section C","1995","51","5","891","892","10.1107/S0108270194012576","","","0.71073","MoKα","","0.0464","0.0361","","0.0927","0.0842","","","","1.068","1.063","1.063","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003470","7.275","0.003","7.711","0.0007","14.293","0.001","90.152","0.007","98.77","0.01","100.49","0.02","778.8","0.3","298","3","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu N5 O2 S -","- C12 H19 Cu N5 O2 S -","- C24 H38 Cu2 N10 O4 S2 -","2","1","KH1000","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.","[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1995","51","5","846","849","10.1107/S0108270194012898","","","0.71073","MoKα","","","0.064","","","0.099","","","","","2.37","2.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003471","8.099","0.002","10.638","0.002","19.87","0.002","90","","92.7","0.02","90","","1710","0.6","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cu N5 O2 S -","- C14 H23 Cu N5 O2 S -","- C56 H92 Cu4 N20 O8 S4 -","4","1","KH1000","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.","[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1995","51","5","846","849","10.1107/S0108270194012898","","","0.71073","MoKα","","","0.031","","","0.05","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003472","8.106","0.002","20.135","0.004","10.399","0.002","90","","102.77","0.03","90","","1655.3","0.6","293","","","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl8 Hg4 N4 O4 -","- C16 H36 Cl8 Hg4 N4 O4 -","- C32 H72 Cl16 Hg8 N8 O8 -","2","0.5","KH1002","Wu, D.-D.; Mak, T. C. W.","Mercury(II) Chloride Adduct of a Betaine Derivative: Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]","Acta Crystallographica Section C","1995","51","5","857","859","10.1107/S0108270194012345","","","0.71073","MoKα","","","0.063","","","0.074","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003473","8.532","0.001","14.946","0.001","12.022","0.001","90","","95.24","0.01","90","","1526.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 1,2,4,5-tetrahydro-3H,6H,10H-1-benzopyrano[9,9a,1-gh]quinolizin- 10-one-9-oate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","KH1015","Yip, B.-C.; Fun, H.-K.; Sivakumar, K.; Zhou, Z.-Y.; Shawkataly, O. B.; Teoh, S.-G.","Coumarin 314","Acta Crystallographica Section C","1995","51","5","956","958","10.1107/S010827019401317X","","","0.71073","MoKα","","0.072","0.0432","","0.1322","0.1228","","","","0.98","1.198","1.198","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003474","15.273","0.001","15.273","0.001","27.399","0.003","90","","90","","120","","5535","0.8","293","2","150","1","","","","","","","Crystals were grown from ethyl acetate","5","P 65","P 65","170","","Benzyl 2-acetimido-4-azido-3-O-benzyl-6-O-(tert-butyldiphenylsilyl)- 2,4-dideoxy-β-D-glucopyranoside","","- C38 H42 N4 O6 Si -","- C38 H42 N4 O6 Si -","- C228 H252 N24 O36 Si6 -","6","1","LI1129","Barnes, J. C.; Field, R. A.","Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","5","1018","1020","10.1107/S0108270194012138","","","0.71069","MoKα","","0.0701","0.04","","0.1141","0.0919","","","","0.562","0.635","0.635","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003475","14.904","0.004","12.434","0.002","8.645","0.003","90","","93.12","0.02","90","","1599.7","0.7","293","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H10 Fe N2 Na O10 -","- C14 H10 Fe N2 Na O10 -","- C56 H40 Fe4 N8 Na4 O40 -","4","1","MU1094","Cousson, A.; Nectoux, F.; Robert, F.; Rizkalla, E. N.","Sodium Bis(dipicolinato)ferrate(III) Dihydrate","Acta Crystallographica Section C","1995","51","5","838","840","10.1107/S0108270194005561","","","0.71073","MoKα","","","0.0306","","","0.0343","","","","","1.08","1.08","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003476","10.32","0.008","16.094","0.007","9.546","0.004","105.3","0.04","91.66","0.05","83.68","0.05","1520","1.5","296","","","","","","","","","","recrystallized from ethanol","7","P -1","-P 1","2","","","","- C28 H22 F6 N2 Ni O4 S2 -","- C27 H21 F6 N2 Ni O4 S3 -","- C54 H42 F12 N4 Ni2 O8 S6 -","2","1","MU1115","Xiong, R.-G.; You, X.-Z.; Dong, J.-X.; Huang, X.-Y.","Bis(3-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]nickel(II)","Acta Crystallographica Section C","1995","51","5","835","837","10.1107/S0108270194011935","","","0.71069","MoKα","","","0.058","","","0.068","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003477","19.951","0.006","7.17","0.002","19.761","0.008","90","","90","","90","","2826.8","1.6","291","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C12 H18 Br N3 O Zn -","- C12 H18 Br N3 O Zn -","- C96 H144 Br8 N24 O8 Zn8 -","8","1","MU1129","Haber, V.; Fábry, J.; Petříček, V.","A New Schiff Base Complex: {<i>N</i>-[3-(2-Aminoethylamino)propyl]salicylideneaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>''}bromozinc(II)","Acta Crystallographica Section C","1995","51","5","884","887","10.1107/S010827019401245X","","","0.56087","AgKα(Pdfilter)","","","","","","0.0777","","","","","2.65","2.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003478","15.75","0.003","6.112","0.002","13.704","0.003","90","","105.98","0.03","90","","1268.2","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7-tetramethyl-2,4,6,8(1H,3H,5H,7H)-pyrimido[4,5-g]pteridinetetrone","","- C12 H12 N6 O4 -","- C12 H12 N6 O4 -","- C48 H48 N24 O16 -","4","0.5","MU1130","Romerosa, A.; Colacio, E.; Suárez-Varela, J.; Avila-Rosón, J. C.; Hidalgo, M. A.; Romero-Garzón, J.","Oxidation of 5,6-Diamino-1,3-dimethyluracil by Metal Ions: Structure of 1,3,6,8-Tetramethyl-2,4,7,9(1<i>H</i>,3<i>H</i>,6<i>H</i>,8<i>H</i>)-pyrimido[4,5-<i>g</i>]pteridinetetrone","Acta Crystallographica Section C","1995","51","5","1005","1007","10.1107/S0108270194009595","","","0.71069","MoKα","","0.2251","0.0482","","0.169","0.0526","","","","","2.3091","2.3091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003479","7.349","0.003","7.535","0.003","14.539","0.005","90","","90","","90","","805.1","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","potassium D-3-phosphoglycerate","","- C3 H6 K O7 P -","- C3 H6 K O7 P -","- C12 H24 K4 O28 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","0.0313","0.0264","","0.0726","0.0703","","","","1.123","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003480","11.332","0.006","22.406","0.011","5.783","0.003","90","","90","","90","","1468.3","1.3","","","85","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Cyclohexylammonium D-3-phosphoglycerate monohydrate","","- C9 H22 N O8 P -","- C9 H22 N O8 P -","- C36 H88 N4 O32 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","","0.0433","","","0.1037","","","","","1.061","1.061","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003481","15.369","0.004","14.399","0.007","13.772","0.003","90","","90.88","0.07","90","","3047.4","1.8","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis-dioxo ((N,N,N',N'-tetrakis (2-pyridylmethyl-2-ol-1,3-propanediamine) -divanadium (V) Iodide dihydrate ((VO~2~)~2~ (TPHPN))I.2H~2~O","","- C27 H33 I N6 O7 V2 -","- C27 H33 I N6 O7 V2 -","- C108 H132 I4 N24 O28 V8 -","4","1","MU1137","Neves, A.; Vencato, I.; Hörner, M.; Fenner, H.","μ-[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl-1κ<i>N</i>)-<i>N</i>',<i>N</i>'-bis(2-pyridylmethyl-2κ<i>N</i>)-1,3-diaminopropan-2-olato]-1κ<i>N</i>,2κ<i>N</i>',1:2κ^2^<i>O</i>-bis(dioxovanadium)(1+) Iodide Dihydrate, [(VO~2~)~2~(TPHPN)]I.2H~2~O","Acta Crystallographica Section C","1995","51","5","809","811","10.1107/S0108270194009066","","","0.71073","MoKα","","","0.0424","","","0.0516","","","","","2.7","2.7","","","","","has coordinates","206184","2020-10-21","18:00:00",""
"2003482","7.296","0.004","7.451","0.003","9.333","0.004","87.77","0.05","79.45","0.05","82.03","0.04","493.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","tripotassium phosphoglycolate dihydrate","","- C2 H6 K3 O8 P -","- C2 H6 K3 O8 P -","- C4 H12 K6 O16 P2 -","2","1","MU1147","Lis, T.","Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate","Acta Crystallographica Section C","1995","51","5","997","1001","10.1107/S0108270194011297","","","0.71069","MoKα","","","0.0263","","","0.0665","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003483","22.512","0.009","19.613","0.009","6.201","0.003","90","","90","","90","","2738","2","","","85","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tris(cyclohexylammonium) phosphoglycolate trihydrate","","- C20 H50 N3 O9 P -","- C20 H50 N3 O9 P -","- C80 H200 N12 O36 P4 -","4","1","MU1147","Lis, T.","Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate","Acta Crystallographica Section C","1995","51","5","997","1001","10.1107/S0108270194011297","","","0.71069","MoKα","","","0.0431","","","0.1157","","","","","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003484","7.595","0.005","10.146","0.006","15.005","0.01","77.28","0.05","75.93","0.05","69.39","0.05","1038.2","1.2","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Mn N2 O6 -","- C23 H21 Mn N2 O6 -","- C46 H42 Mn2 N4 O12 -","2","1","MU1150","Dutta, S.; Manivannan, V.; Giri Babu, L.; Pal, S.","A Mononuclear Manganese(III) Schiff Base Complex, [Mn(C~14~H~10~N~2~O~2~)(C~8~H~7~O~3~)(CH~4~O)]","Acta Crystallographica Section C","1995","51","5","813","815","10.1107/S0108270194012151","","","0.71073","MoKα","","","0.047","","","0.0595","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003485","9.3055","0.0006","8.4118","0.0006","12.3965","0.0007","90","","98.731","0.007","90","","959.1","0.11","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C28 H36 N12 O12 S4 -","4","1","MU1153","Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide Monohydrate","Acta Crystallographica Section C","1995","51","5","946","948","10.1107/S0108270194013235","","","1.5418","CuKα","","0.0394","0.0375","","0.102","0.1012","","","","1.089","1.125","1.125","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003486","13.899","0.002","12.156","0.002","15.781","0.003","90","","105.84","0.02","90","","2565.1","0.8","294","2","294","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Zn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Zn(II) cis-dipyridine adduct","","- C26 H22 N4 O6 Zn -","- C26 H22 N4 O6 Zn -","- C104 H88 N16 O24 Zn4 -","4","0.5","MU1155","Falvello, L. R.; Hicke, S.; Mueller, T. E.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II)","Acta Crystallographica Section C","1995","51","5","859","861","10.1107/S010827019401293X","","","0.71073","MoKα","","0.0749","0.0386","","0.0818","0.0708","","","","1.065","1.101","1.101","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003487","8.186","0.001","11.107","0.001","11.515","0.002","80.28","0.01","76.36","0.03","68.73","0.01","944.1","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N12 Ni -","- C40 H40 N12 Ni -","- C40 H40 N12 Ni -","1","0.5","NA1102","Muñoz, M. C.; Cano, J.; Ruiz, R.; Lloret, F.; Faus, J.","The 7,7,8,8-Tetracyanoquinodimethane Salt of (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~","Acta Crystallographica Section C","1995","51","5","873","876","10.1107/S0108270194010401","","","0.71069","MoKα","","","0.042","","","0.042","","","","","1.7","1.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003488","12.719","0.002","12.906","0.002","16.93","0.003","68.2","0.02","68.23","0.02","64.08","0.02","2247.2","0.8","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Cl3 N4 Rh Sn -","- C44 H28 Cl3 N4 Rh Sn -","- C88 H56 Cl6 N8 Rh2 Sn2 -","2","1","NA1113","Licoccia, S.; Paolesse, R.; Boschi, T.; Bandoli, G.; Dolmella, A.","Trichlorotin(II)‒(<i>meso</i>-Tetraphenylporphyrinato)rhodium(III), a Porphyrin Derivative with an Rh—Sn Bond","Acta Crystallographica Section C","1995","51","5","833","835","10.1107/S0108270194012424","","","0.71073","MoKα","","","0.057","","","0.08","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003489","17.842","0.003","5.489","0.001","20.045","0.002","90","","105.18","0.01","90","","1894.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Aqua)(glicinato)(3,4,7,8-tetramethyl-1,10-phenanthroline) copper(II)] nitrate.","","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","- C72 H88 Cu4 N16 O24 -","4","1","NA1125","Alvarez-Larena, A.; Briansó-Penalva, J. L.; Piniella, J. F.; Moreno-Esparza, R.; Ruiz-Ramírez, L.; Ferrer-Sueta, G.","Aqua(glycinato)(3,4,7,8-tetramethyl-1,10-phenanthroline)copper(II) Nitrate","Acta Crystallographica Section C","1995","51","5","852","854","10.1107/S0108270194013041","","","0.71069","MoKα","","0.0467","0.0406","","0.0973","0.0918","","","","1.253","1.245","1.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003490","12.995","0.001","7.161","0.001","16.187","0.001","90","","112.37","0.01","90","","1393","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","NA1127","Argay, G.; Kálmán, A.; Vladimirov, S.; Zivanov-Stakic, D.; Ribár, B.","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","Acta Crystallographica Section C","1995","51","5","958","960","10.1107/S010827019401228X","","","1.5418","CuKα","","0.0348","0.0337","","0.1024","0.0968","","","","1.117","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003491","25.601","0.003","8.3508","0.0014","6.8213","0.001","90","","90","","90","","1458.3","0.4","122","2","122","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(R,S)-1-phenylethylammonium (R,S)-mandelate","(R,S)-1-Phenylethylammonium (R,S)-2-hydroxy-2-phenylethanoate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","NA1135","Lopez de Diego, H.","(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>R</i>,<i>S</i>)-Mandelate","Acta Crystallographica Section C","1995","51","5","935","937","10.1107/S010827019401303X","","","1.5418","CuKα","","0.0304","0.0288","","0.0764","0.0749","","","","1.053","1.058","1.058","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003492","8.217","0.007","31.54","0.01","10.384","0.004","90","","98.09","0.04","90","","2664","3","293","","293","","","","","","","","Janssen Research Foundation, Belgium","5","P 1 21/n 1","-P 2yn","14","","N-[2-(3-Methoxyphenoxy)propyl]-m-tolylacetamidinium p-Toluenesulfonate Monohydrate","","- C26 H34 N2 O6 S -","- C33 H41 N2 O6 S -","- C132 H164 N8 O24 S4 -","4","1","NA1140","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","<i>N</i>-[2-(3-Methoxyphenoxy)propyl]-<i>m</i>-tolylacetamidinium <i>p</i>-Toluenesulfonate Monohydrate (Xylamidine)","Acta Crystallographica Section C","1995","51","5","991","993","10.1107/S0108270194013818","","","1.54184","CuKα","","0.0775","0.0511","","0.1575","0.1389","","","","1.08","1.078","1.078","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003493","10.1429","0.0002","10.1429","0.0002","10.1429","0.0002","90","","90","","90","","1043.49","0.04","295","","","","","","","","","","Powder","3","F d 3 m","F 4d 2 3 -1d","","","","","- O7 Ru2 Y2 -","- O16 Ru Y -","- O128 Ru8 Y8 -","8","","OH1070","Kennedy, B. J.","Structure Refinement of Y~2~Ru~2~O~7~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1995","51","5","790","792","10.1107/S0108270194013168","","neutron","","neutron","","","0.0602","","","0.0794","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003494","11.049","0.004","18.659","0.006","11.602","0.004","90","","117.08","0.02","90","","2129.7","1.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-3-methyl-1-diphenyl-2-butyl 3-acetamidocrotonate","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","PA1050","Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.","(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product","Acta Crystallographica Section C","1995","51","5","967","970","10.1107/S0108270193007383","","","1.5418","CuKα","","","0.051","","","0.07","","","","","0.67","0.67","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003495","22.41","0.03","20.76","0.02","9.195","0.006","90","","90","","90","","4278","8","293","","293","","","","","","","","from chemical synthesis","4","P c c n","-P 2ab 2ac","56","","(±)-3-methyl-1-diphenyl-2-butyl 3-acetamidobutanoate","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","PA1050","Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.","(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product","Acta Crystallographica Section C","1995","51","5","967","970","10.1107/S0108270193007383","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.05","1.05","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003496","9.791","0.002","18.974","0.003","10.358","0.002","90","","117.51","0.02","90","","1706.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","PA1057","Bocelli, G.; Cantoni, A.; Bigi, F.; Sartori, G.; Lina, F.","<i>tert</i>-Butyl 2-[(Hydroxy)(5-hydroxy-1,3-benzodioxol-6-yl)methyl]pyrrolidine-1-carboxylate","Acta Crystallographica Section C","1995","51","5","993","995","10.1107/S0108270193014118","","","1.54178","CuKα","","","0.059","","","0.066","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003497","14.29","0.003","13.571","0.002","27.314","0.008","90","","90","","90","","5297","2","296","","","","","","","","","","from acetone","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Nb O5 P2 W -","- C25 H27 Nb O5 P2 W -","- C200 H216 Nb8 O40 P16 W8 -","8","1","PA1107","Oudet, P.; Kubicki, M. M.; Moise, C.","Pentacarbonyl-1κ<i>C</i>,2κ^4^<i>C</i>-bis[1,1(η^5^)-cyclopentadienyl](dimethylphenylphosphine-2κ<i>P</i>)-μ-dimethylphosphanido-niobiumtungsten","Acta Crystallographica Section C","1995","51","5","811","813","10.1107/S0108270194007262","","","0.71073","MoKα","","","0.043","","","0.051","","","","","2.22","2.22","","","","","has coordinates","190987","2020-10-21","18:00:00",""
"2003498","8.955","0.005","11.085","0.003","17.45","0.005","83.9","0.02","78.8","0.01","85.3","0.02","1686.2","1.2","293","","293","","","","","","","","","4","P -1","-P 1","2","Sel de maprotiline","N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylcarbamate de N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylammonium","","- C41 H47 N2 O2.5 -","- C41 H47 N2 O2.5 -","- C82 H94 N4 O5 -","2","1","PA1112","Brouant, P.; Reboul, J.-P.; Siri, D.; Soyfer, J.-C.; Barbe, J.; Pèpe, G.","Un sel de Maprotiline (Ludiomil), Médicament Psychotrope, C~20~H~24~N^+^.C~21~H~22~NO~2~^{-^}.0,5H~2~O","Acta Crystallographica Section C","1995","51","5","970","974","10.1107/S0108270194006049","","","0.7019","MoKα","","0.041","0.041","","0.042","0.042","","","","1.01","1.01","1.01","","","","","has coordinates","190530","2020-10-21","18:00:00",""
"2003499","18.169","0.003","10.932","0.003","16.12","0.003","90","","117.17","0.02","90","","2848.5","1.2","293","","","","","","","","","","\'evaporation d'une solution m\'ethanolique","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 Cl2 N5 O Pt S -","- C6 H17 Cl2 N5 O Pt S -","- C48 H136 Cl16 N40 O8 Pt8 S8 -","8","1","PA1121","Viossat, B.; Nguyen-Huy Dung; Rodier, N.; Bentefrit, F.","Chlorure de <i>cis</i>-Chloro(diméthyl sulfoxyde)(metformine)platine(II)","Acta Crystallographica Section C","1995","51","5","878","880","10.1107/S0108270194009674","","","0.7107","MoKα","","","0.032","","","0.038","","","","","1.2","1.2","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2003500","8.174","0.001","7.228","0.001","36.114","0.003","90","","86.96","0.01","90","","2130.7","0.4","293","","","","","","","","","","from ethanol/nitromethane (20/80 v/v)","5","C 1 c 1","C -2yc","9","","","","- C21 H35 Cl N2 O -","- C21 H35 Cl N2 O -","- C84 H140 Cl4 N8 O4 -","4","1","PA1122","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","5-Dodecyl-2-(1-hydroxyethyl)benzimidazolium Chloride","Acta Crystallographica Section C","1995","51","5","893","894","10.1107/S0108270194011273","","","1.5418","CuKα","","","0.0463","","","0.0541","","","","","1.725","1.725","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003501","17.154","0.002","5.748","0.001","17.657","0.002","90","","111.96","0.01","90","","1614.7","0.4","291","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","PA1134","Tinant, B.; Declercq, J.-P.; Abdellaoui, H.; Depreux, P.; Lesieur, D.","<i>N</i>,<i>N</i>-Dimethyl-2-[7-(methylaminosulfonylmethyl)-1-naphthyl]ethylamine, the Naphthalenic Bioisostere of Sumatriptan","Acta Crystallographica Section C","1995","51","5","916","918","10.1107/S0108270194011601","","","1.54184","CuKα","","","0.042","","","0.05","","","","","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003502","8.261","0.004","8.847","0.004","17.807","0.007","95.19","0.03","95.14","0.03","113.9","0.04","1173.5","1","292","","","","","","","","","","\'evaporation d'une solution dans l'\'ethanol","5","P -1","-P 1","2","","","","- C21 H40 Br N O -","- C21 H40 Br N O -","- C42 H80 Br2 N2 O2 -","2","1","PA1146","Rodier, N.; Dugué, J.; Céolin, R.; Baziard-Mouysset, G.; Stigliani, J.-L.; Payard, M.","Bromure de Benzododécinium Monohydraté","Acta Crystallographica Section C","1995","51","5","954","956","10.1107/S0108270194014435","","","0.71073","MoKα","","","0.068","","","0.056","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003503","10.207","0.008","26.978","0.012","8.744","0.006","90","","106.96","0.03","90","","2303","3","293","","293","","","","","","","","synth\`ese","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-chlorophényl)-3a-méthyl- 5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] triazolo [4,3-a] [1,5] benzodiazépine","","- C26 H23 Cl N4 O2 -","- C26 H23 Cl N4 O2 -","- C104 H92 Cl4 N16 O8 -","4","1","PA1148","Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.","Ethyl 3-(4-Chlorophényl)-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazépine-1-carboxylate, C~26~H~23~ClN~4~O~2~","Acta Crystallographica Section C","1995","51","5","961","963","10.1107/S0108270194011418","","","1.5418","CuKα","","","0.06","","","0.059","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003504","20.709","0.003","7.777","0.0014","17.276","0.003","90","","143.279","0.005","90","","1663.6","0.5","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","C 1 c 1","C -2yc","9","","3-methyl-4H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide","","- C7 H7 N3 O2 S -","- C7 H7 N3 O2 S -","- C56 H56 N24 O16 S8 -","8","2","PA1150","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[3,2-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","5","944","946","10.1107/S0108270194013569","","","1.5418","CuKα","","0.0274","0.0268","","0.0693","0.0691","","","","1.108","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003505","7.491","0.001","12.188","0.002","15.744","0.003","90","","97.95","0.01","90","","1423.6","0.4","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O7 -","- C31 H44 O7 -","- C62 H88 O14 -","2","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.044","","","0.05","","","","","5.2148","5.2148","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003506","7.709","0.001","18.293","0.002","21.082","0.003","90","","90","","90","","2973","0.7","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.05","","","0.046","","","","","3.8027","3.8027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003507","10.197","0.007","10.623","0.001","20.08","0.003","90","","101.53","0.02","90","","2131.2","1.5","293","2","","","","","","","","","Synthese, Kristallisation aus CH~3~OH","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N9 O7 -","- C19 H21 N9 O7 -","- C76 H84 N36 O28 -","4","1","SH1092","Gzella, A.; Wrzeciono, U.","Azoles. 38. Struktur der Molekularverbindung von 3,5-Dinitroindazol, 5-Nitro-3-piperazinoindazol und Methanol","Acta Crystallographica Section C","1995","51","5","963","967","10.1107/S0108270194008954","","","1.54178","CuKα","","","0.0889","","","0.0947","","","","","1.8529","1.8529","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2003508","9.4","0.001","11.029","0.001","9.153","0.001","96.144","0.009","96.84","0.01","65.235","0.007","853.79","0.16","173","1","173","","","","","","","","see text","3","P 1","P 1","1","α,α-allo-trehalose trihydrate","α-D-allopyranosyl α-D-allopyranoside trihydrate","","- C12 H28 O14 -","- C12 H28 O14 -","- C24 H56 O28 -","2","2","SH1108","Linden, A.; Lee, C. K.","α,α-<i>allo</i>-Trehalose Trihydrate","Acta Crystallographica Section C","1995","51","5","1007","1012","10.1107/S0108270194012102","","","0.71069","MoKα","","0.0285","0.027","","0.0322","0.032","","","","","1.817","1.817","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003509","7.3812","0.0011","8.4422","0.0009","12.42","0.0014","73.243","0.009","81.924","0.011","83.473","0.011","731.53","0.16","293","2","293","2","","","","","","","from methanol","6","P -1","-P 1","2","","Methyl N-(N'-4-chlorophenylaminothiocarbonyl) imidate","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C30 H26 Cl2 N4 O2 S2 -","2","1","TA1022","Hajjem, B.; Jouini, T.; Harizi, A.; Baccar, B.","Methyl <i>N</i>-(4-Chlorophenylaminothiocarbonyl)benzimidate","Acta Crystallographica Section C","1995","51","5","920","922","10.1107/S0108270194011625","","","0.71069","MoKα","","0.0491","0.0382","","0.0869","0.0855","","","","1.302","1.348","1.348","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003510","14.203","0.006","14.203","0.006","22.447","0.004","90","","90","","90","","4528","3","293","2","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H30 Cl2 Co2 N6 O14 -","- C12 H30 Cl2 Co2 N6 O20.5 -","- C96 H240 Cl16 Co16 N48 O164 -","8","0.5","AB1161","Chen, M.-Q.; Liu, J.; Mao, Z.-W.; Hang, Q.-W.; Tang, W.-X.","Bis(diethylenetriamine-<i>N</i>'-acetato)-di-μ-hydroxo-dicobalt(III) Perchlorate","Acta Crystallographica Section C","1995","51","6","1080","1082","10.1107/S0108270194013387","","","0.7093","MoKα","","","0.051","","","0.047","","","","","4.149","4.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003511","5.978","0.002","4.945","0.002","20.168","0.004","90","","95.8","0.03","90","","593.1","0.3","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C26 H18 Br2 O2 S2 -","2","1","AB1178","He, Y.; Wu, Q.; Su, G.","3-(4-Bromophenyl)-1-(3-thienyl)-2-propen-1-one (BTC)","Acta Crystallographica Section C","1995","51","6","1167","1168","10.1107/S0108270194013843","","","0.71069","MoKα","","","0.046","","","0.052","","","","","1.39","1.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003512","10.731","0.006","18.016","0.006","8.347","0.005","90","","90","","90","","1613.7","1.4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","AB1186","Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T.","The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol","Acta Crystallographica Section C","1995","51","6","1175","1177","10.1107/S0108270194013855","","","0.71073","MoKα","","","0.052","","","0.15","","","","","0.998","0.998","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003513","9.668","0.002","8.358","0.002","25.582","0.009","90","","98.26","0.03","90","","2045.7","1","289","","","","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N8 Ni O2 -","- C21 H20 N8 Ni O2 -","- C84 H80 N32 Ni4 O8 -","4","1","AB1196","Jian, P.; Wang, S.; Suo, J.; Wang, L.; Wu, Q.","Azido[2,6-bis(2-benzimidazolyl-<i>N</i>^3^)pyridine-<i>N</i>](methanol)(methanolato)nickel(II)","Acta Crystallographica Section C","1995","51","6","1071","1073","10.1107/S0108270194011741","","","0.71073","MoKα","","","0.051","","","0.065","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003514","10.809","0.001","8.4044","0.0009","21.119","0.003","90","","96.63","0.01","90","","1905.7","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cu N8 O8 -","- C15 H22 Cu N8 O8 -","- C60 H88 Cu4 N32 O32 -","4","1","AB1203","Kivekäs, R.; Klinga, M.; Colacio, E.; Dominguez-Vera, J. M.; Romerosa, A.","Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-κ^4^<i>N</i>^5^,<i>N</i>^6^,<i>N</i>^15^,<i>N</i>^16^]copper(II) Monohydrate","Acta Crystallographica Section C","1995","51","6","1087","1089","10.1107/S0108270194013697","","","0.71073","MoKα","","","0.04","","","0.036","","","","","2.064","2.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003515","8.014","0.002","8.633","0.002","12.6","0.003","90","","90.53","0.03","90","","871.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","11,12-seco-12,13-didehydromultiflorine perchlorate hydrate","","- C15 H25 Cl N2 O6 -","- C15 H25.07 Cl N2 O6 -","- C30 H50.14 Cl2 N4 O12 -","2","1","AB1207","Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W.","11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate","Acta Crystallographica Section C","1995","51","6","1182","1184","10.1107/S0108270194011650","","","1.54178","CuKα","","0.0577","0.036","","0.1741","0.1069","","","","1.076","1.118","1.118","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003516","6.116","0.002","16.656","0.004","6.007","0.003","99.29","0.03","100.94","0.03","99.05","0.02","581.7","0.4","243","","","","","","","","","","","5","P 1","P 1","1","","","","- C5 H18 N Na O9 -","- C5 H17.5 N Na O9 -","- C10 H35 N2 Na2 O18 -","2","2","AS1110","Kashiwagi, T.; Sano, C.; Kawakita, T.; Nagashima, N.","Monosodium <small>L</small>-Glutamate Pentahydrate","Acta Crystallographica Section C","1995","51","6","1053","1056","10.1107/S0108270194014472","","","1.5418","CuKα","","","0.056","","","0.076","","","","","3.06","3.06","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003517","8.6917","0.0007","11.576","0.001","15.006","0.003","110.1","0.02","103.8","0.01","91.465","0.009","1367.3","0.4","298","3","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H36 N4 O2 -","- C14 H32 N4 O2 -","- C42 H96 N12 O6 -","3","1.5","AS1126","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","Two Isomers of 5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","1995","51","6","1146","1148","10.1107/S0108270194011352","","","0.71073","MoKα","","","0.051","","","0.068","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003518","8.96","0.004","11.507","0.006","8.889","0.007","97.29","0.05","97.71","0.05","105.58","0.03","862","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(trans-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","1","AS1138","Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.","<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate","Acta Crystallographica Section C","1995","51","6","1137","1139","10.1107/S010827019401276X","","","0.71073","MoKα","","0.147","0.061","","0.198","0.154","","","","1.015","1.109","1.109","","","","","has coordinates,has disorder","198601","2020-10-21","18:00:00",""
"2003519","9.4915","0.0011","11.5618","0.0014","8.9687","0.0009","98.806","0.009","99.065","0.009","112.364","0.009","874.02","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","1","AS1138","Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.","<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate","Acta Crystallographica Section C","1995","51","6","1137","1139","10.1107/S010827019401276X","","","0.71073","MoKα","","0.123","0.054","","0.159","0.129","","","","1.01","1.129","1.129","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003520","4.653","0.0004","15.191","0.001","26.902","0.002","90","","90","","90","","1901.5","0.2","293","2","293","2","","","","","","","synthesized from CH~2~Cl~2~--benzene system","4","P b c 21","P 2c -2b","29","","10-Hydroxybenzo[h]quinoline","","- C13 H9 N O -","- C13 H9 N O -","- C104 H72 N8 O8 -","8","2","AS1144","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","10-Hydroxybenzo[<i>h</i>]quinoline","Acta Crystallographica Section C","1995","51","6","1173","1175","10.1107/S010827019401379X","","","1.54178","CuKα","","0.0559","0.0383","","0.1128","0.0767","","","","1.213","1.26","1.26","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003521","15.037","0.003","9.913","0.001","12.547","0.002","90","","91.29","0.01","90","","1869.8","0.5","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","","- C25 H17 Br O2 -","- C25 H17 Br O2 -","- C100 H68 Br4 O8 -","4","1","AS1150","Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.","Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","Acta Crystallographica Section C","1995","51","6","1148","1152","10.1107/S0108270194013806","","","0.7107","MoKα","","","0.035","","","0.035","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003522","9.165","0.001","13.155","0.001","8.85","0.001","101.58","0.01","116.59","0.01","80.77","0.01","931.69","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-bromo-2,3-dihydro-2,3-(bibenzyl)methano-1,4-naphthoquinone","","- C25 H17 Br O2 -","- C25 H17 Br O2 -","- C50 H34 Br2 O4 -","2","1","AS1150","Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.","Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","Acta Crystallographica Section C","1995","51","6","1148","1152","10.1107/S0108270194013806","","","0.7107","MoKα","","","0.037","","","0.04","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003523","11.9111","0.001","16.036","0.002","13.1202","0.0009","90","","93.761","0.006","90","","2500.6","0.4","296","","","","","","","","","","Recrystallization fron ethyl acetate-heptane","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 O6 P2 -","- C25 H32 O6 P2 -","- C100 H128 O24 P8 -","4","1","BK1023","Elnagar, H. Y.; Layman, W. J.; Fronczek, F. R.","[4,4',6,6'-Tetramethyl-(2,2'-isobutylidenedi-<i>o</i>-phenylene)] (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl) Phosphite, C~25~H~32~P~2~O~6~","Acta Crystallographica Section C","1995","51","6","1177","1179","10.1107/S0108270194011169","","","1.54184","CuKα","","","0.046","","","0.056","","","","","2.762","2.762","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003524","6.418","0.001","15.864","0.003","12.269","0.002","90","","102.38","0.01","90","","1220.1","0.4","296","","","","","","","","","","Prepared by authors","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.0507","","","0.0712","","","","","2.172","2.172","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003525","12.39","0.001","8.245","0.002","13.732","0.001","90","","121.543","0.009","90","","1195.5","0.3","295","","","","","","","","","","Prepared by authors","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.025","","","0.0332","","","","","1.415","1.415","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2003526","7.123","0.002","11.237","0.002","14.989","0.001","90","","90","","90","","1199.7","0.4","296","","","","","","","","","","Prepared by authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.03","","","0.041","","","","","1.92","1.92","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003527","6.137","0.001","19.405","0.002","7.187","0.001","90","","104.72","0.01","90","","827.8","0.2","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","BK1050","Gallucci, J. C.; Mathur, N.; Shechter, H.","(<i>Z</i>)-5-(2-Thienylmethylene)-2,4-imidazolidinedione","Acta Crystallographica Section C","1995","51","6","1221","1223","10.1107/S0108270194014137","","","0.71069","MoKα","","","0.041","","","0.046","","","","","1.65","1.65","","","","","has coordinates,has disorder","200210","2020-10-21","18:00:00",""
"2003528","13.256","0.002","8.644","0.003","13.484","0.002","90","","103.23","0.01","90","","1504.1","0.6","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 O6 Ru2 -","- C13 H8 O6 Ru2 -","- C52 H32 O24 Ru8 -","4","1","BK1081","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.","Hexacarbonyl-1κ^4^<i>C</i>,2κ^2^<i>C</i>-[μ-1κ<i>C</i>^6^:2(η^5^)-6-methylfulvene]diruthenium(<i>Ru</i>—<i>Ru</i>), [Ru~2~(C~5~H~4~CHCH~3~)(CO)~6~]","Acta Crystallographica Section C","1995","51","6","1118","1120","10.1107/S0108270194012928","","","0.7107","MoKα","","","0.0368","","","0.0367","","","","","1.962","1.962","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003529","7.146","0.001","8.635","0.003","25.5","0.004","90","","90","","90","","1573.5","0.6","293","2","293","2","","","","","","","crystallized from ethyl alcohol","3","P 21 21 21","P 2ac 2ab","19","","2-cyano-2-methylsparteine","","- C17 H27 N3 -","- C17 H27 N3 -","- C68 H108 N12 -","4","1","BK1085","Wolska, I.; Borowiak, T.","2-Cyano-2-methylsparteine","Acta Crystallographica Section C","1995","51","6","1158","1160","10.1107/S0108270194013740","","","0.71073","MoKα","","0.0739","0.0311","","0.1161","0.0913","","","","1.088","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003530","10.9538","0.0006","11.1908","0.0008","10.77","0.005","90","","111.21","0.16","90","","1230.8","1.5","295","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Pt2 -","- C12 H20 Pt2 -","- C48 H80 Pt8 -","4","0.5","BK1101","Doyle, J. R.; Baenziger, N. C.","μ-(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)]","Acta Crystallographica Section C","1995","51","6","1116","1118","10.1107/S0108270194014149","","","0.71073","MoKα(intensities),CuKα~1~andCuKα~2~","","","0.047","","","0.073","","","","","1.24","1.24","","","","","has coordinates","198855","2020-10-21","18:00:00",""
"2003531","7.288","0.001","7.514","0.001","15.441","0.001","90.08","0.01","95.9","0.01","90.45","0.01","841.07","0.17","292","","292","","","","","","","","","4","P -1","-P 1","2","","Barium perrhenate hydrate","","- Ba H2 O9 Re2 -","- Ba H2 O9 Re2 -","- Ba4 H8 O36 Re8 -","4","2","BR1085","Todorov, T.; Macícek, J.","Barium Perrhenate Monohydrate","Acta Crystallographica Section C","1995","51","6","1034","1038","10.1107/S0108270194013909","","","0.71073","MoKα","","0.068","0.053","","0.062","0.062","","","","2.65","2.678","2.678","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003532","8.374","0.002","9.935","0.002","11.139","0.002","87.84","0.02","88.13","0.02","80.61","0.02","913.3","0.3","290","2","","","","","","","","","synthesized, recrystallized from EtOAc","5","P -1","-P 1","2","","","","- C20 H23 Br N2 O2 -","- C20 H23 Br N2 O2 -","- C40 H46 Br2 N4 O4 -","2","1","CR1107","Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.","Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)","Acta Crystallographica Section C","1995","51","6","1189","1193","10.1107/S0108270194011005","","","0.71073","MoKα","","","0.0379","","","0.0912","","","","","1.05","1.05","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003533","4.514","0.002","24.87","0.01","13.054","0.004","90","","97.41","0.03","90","","1453.2","1","288","","","","","","","","","","synthesized per article, recrystallized from mesi","5","C 1 c 1","C -2yc","9","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C64 H60 Br4 N8 O8 -","4","1","CR1107","Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.","Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)","Acta Crystallographica Section C","1995","51","6","1189","1193","10.1107/S0108270194011005","","","0.71073","MoKα","","","0.048","","","0.0951","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003534","14.445","0.003","5.767","0.001","28.603","0.005","90","","90.27","0.02","90","","2382.7","0.8","213.9","","213.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrophenyl Phenoxyformate","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C104 H72 N8 O40 -","8","2","CR1151","Bryant, Jnr, G. L.; King, Jnr, J. A.","2-Nitrophenyl Phenoxyformate, C~13~H~9~NO~5~","Acta Crystallographica Section C","1995","51","6","1141","1143","10.1107/S0108270194010449","","","1.54178","CopperKα","","0.0902","0.066","","0.1007","0.087","","","","","0.91","0.91","","","","","has coordinates","198396","2020-10-21","18:00:00",""
"2003535","11.796","0.008","7.629","0.004","15.719","0.005","90","","92.65","0.04","90","","1413.1","1.3","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cr O4 -","- C16 H10 Cr O4 -","- C64 H40 Cr4 O16 -","4","1","CR1157","Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.","(Benzobicyclooctatriene)tetracarbonylchromium","Acta Crystallographica Section C","1995","51","6","1067","1069","10.1107/S0108270194013417","","","0.71073","MoKα","","","0.043","","","0.039","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003536","9.193","0.009","4.89","0.004","7.162","0.007","90","","90","","90","","322","0.5","233","2","233","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O5 P2 -","- O5 P2 -","- O20 P8 -","4","0.5","DU1085","Stachel, D.; Svoboda, I.; Fuess, H.","Phosphorus Pentoxide at 233 K","Acta Crystallographica Section C","1995","51","6","1049","1050","10.1107/S0108270194012126","","","0.71069","MoKα","","0.085","0.039","","0.0946","0.0831","","","","1.04","1.117","1.117","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003537","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","synthesis (Yoneda, 1976)","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","DU1097","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C","1995","51","6","1223","1227","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003538","22.9337","0.0005","5.8035","0.0006","13.7842","0.0006","90","","106.816","0.004","90","","1756.2","0.2","293","2","293","2","","","","","","","synth\`ese","5","C 1 2/c 1","-C 2yc","15","","Bis(paraphénolammonium) Diphosphate Monohydrate","","- C12 H20 N2 O10 P2 -","- C12 H22 N2 O11 P2 -","- C48 H88 N8 O44 P8 -","4","0.5","DU1100","Soumhi, E. H.; Jouini, T.","Bis(<i>para</i>-phénolammonium) Diphosphate Monohydrate","Acta Crystallographica Section C","1995","51","6","1213","1215","10.1107/S0108270194011546","","","0.71069","MoKα","","0.0545","0.0379","","0.0984","0.0926","","","","1.219","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003539","9.375","0.001","8.019","0.001","11.135","0.002","90","","100.73","0.01","90","","822.5","0.2","299","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ni O11 P4 -","- Ni O11 P4 -","- Ni4 O44 P16 -","4","1","DU1102","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","Nickel Ultraphosphate, NiP~4~O~11~","Acta Crystallographica Section C","1995","51","6","1047","1049","10.1107/S0108270194012680","","","0.71069","MoKα","","0.064","0.0265","","0.0683","0.0614","","","","1.026","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003540","13.5737","0.0004","13.5737","0.0004","6.6624","0.0003","90","","90","","120","","1063.06","0.07","293","","","","","","","","","","see text","4","P -3","-P 3","147","","","","- Ce K2 N6 O18 -","- Ce K2 N6 O18 -","- Ce3 K6 N18 O54 -","3","0.5","DU1103","Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.","Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~","Acta Crystallographica Section C","1995","51","6","1029","1032","10.1107/S0108270194014927","","","0.71073","MoKα","","","0.045","","","0.051","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003541","12.707","0.004","6.6858","0.0006","8.2535","0.0007","90","","91.547","0.008","90","","700.9","0.2","293","","","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- Ce K2 N6 O18 -","- Ce K2 N6 O18 -","- Ce2 K4 N12 O36 -","2","0.5","DU1103","Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.","Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~","Acta Crystallographica Section C","1995","51","6","1029","1032","10.1107/S0108270194014927","","","0.71073","MoKα","","","0.042","","","0.061","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003542","13.5975","0.0008","13.5975","0.0008","13.5975","0.0008","90","","90","","90","","2514.1","0.3","293","","","","","","","","","","see text","4","P 41 3 2","P 4bd 2ab 3","213","","","","- Ce2 K3 N9 O27 -","- Ce2 K3 N9 O27 -","- Ce8 K12 N36 O108 -","4","0.166667","DU1104","Guillou, N.; Auffrédic, J. P.; Louër, D.","Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~","Acta Crystallographica Section C","1995","51","6","1032","1034","10.1107/S0108270194014939","","","0.71073","MoKα","","","0.044","","","0.055","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003543","10.232","0.003","14.964","0.007","6.826","0.004","93.81","0.04","98.02","0.03","104.37","0.03","997","0.8","295","1","","","","","","","","","natural product crystallized from water","4","P 1","P 1","1","","","","- C18 H29 N O7 -","- C18 H29 N O7 -","- C36 H58 N2 O14 -","2","2","FG1006","Parvez, M.; Benn, M. H.","Senecivernine Dihydrate","Acta Crystallographica Section C","1995","51","6","1202","1204","10.1107/S0108270194012904","","","0.71069","MoKα","","","0.0802","","","0.0804","","","","","3.43","3.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003544","14.739","0.004","9.029","0.001","14.269","0.004","90","","115.95","0.01","90","","1707.4","0.7","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br2 Cu N8 -","- C12 H16 Br2 Cu N8 -","- C48 H64 Br8 Cu4 N32 -","4","0.5","FG1007","Parker, O. J.; Breneman, G. L.","Tetrakis(imidazole)copper(II) Dibromide, [Cu(Him)~4~]Br~2~","Acta Crystallographica Section C","1995","51","6","1097","1099","10.1107/S010827019401139X","","","0.71073","MoKα","","","0.038","","","0.05","","","","","2.09","2.09","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003545","10.9822","0.0022","8.0799","0.0016","15.449","0.003","90","","113.28","0.12","90","","1259.3","1.2","203","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C26 H22 N4 O3 -","- C104 H88 N16 O12 -","4","1","FG1010","Chebli, C.; Brisse, F.","4,4'-Azoxydianisole at 203 K","Acta Crystallographica Section C","1995","51","6","1164","1167","10.1107/S0108270194012023","","","1.54056","CuKα","","","0.052","","","0.059","","","","","2.68","2.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003546","10.434","0.002","13.699","0.002","25.148","0.004","90","","90","","90","","3594.5","1","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 B F3 Mo N7 O3 S -","- C32 H39 B F3 Mo N7 O3 S -","- C128 H156 B4 F12 Mo4 N28 O12 S4 -","4","1","FG1016","Vaughan, W. M.; Bonella, J. M.; Abboud, K. A.","A Chelate-Stabilized Molybdenum‒Imido‒Alkylidene Complex, [TpMo{CHC(Me)~2~Ph}(NAr)(OTf)]","Acta Crystallographica Section C","1995","51","6","1075","1078","10.1107/S010827019401231X","","","0.71073","MoKα","","","0.053","","","0.0546","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003547","6.815","0.001","17.967","0.002","6.223","0.001","98.52","0.01","98.69","0.01","84.52","0.01","742.83","0.18","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Cl2 Pd S2 -","- C12 H20 Cl2 Pd S2 -","- C24 H40 Cl4 Pd2 S4 -","2","1","FG1033","Parvez, M.; Primak, A.; Clark, P. D.","<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)","Acta Crystallographica Section C","1995","51","6","1099","1102","10.1107/S0108270194014861","","","0.71073","MoKα","","","0.044","","","0.059","","","","","2.81","2.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003548","7.934","0.003","11.759","0.003","8.256","0.002","90","","94.94","0.01","90","","767.4","0.4","295","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Pt S2 -","- C12 H20 Cl2 Pt S2 -","- C24 H40 Cl4 Pt2 S4 -","2","0.5","FG1033","Parvez, M.; Primak, A.; Clark, P. D.","<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)","Acta Crystallographica Section C","1995","51","6","1099","1102","10.1107/S0108270194014861","","","0.71073","MoKα","","","0.035","","","0.05","","","","","3.63","3.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003549","7.569","0.001","9.738","0.002","9.503","0.001","90","","96.32","0.01","90","","696.18","0.19","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","[3S,4S,5R-(1β,3β,6α,7α,12aβ)]-hexahydro-1-hydroxy-6,6- dimethyl-3,13a:4,8-diepoxy-3H,6H-dioxolano[4,5-f] pyrimido[6,1-c][1,4]oxazonine-10,12(11H,13H)dione","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C26 H32 N4 O16 -","2","1","FG1041","Groziak, M. P.; Lin, R.; Robinson, P. D.","An Unusual C6-Spiro-Fused Cyclouridine Derivative","Acta Crystallographica Section C","1995","51","6","1204","1207","10.1107/S0108270194012631","","","0.71069","MoKα","","","0.035","","","0.043","","","","","1.96","1.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003550","16.652","0.003","12.754","0.003","3.841","0.002","90","","94.39","0.02","90","","813.4","0.5","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","HA1105","Adatia, T.; Barjesteh, H.; Charalambous, J.; Choi, N.; McPartlin, M.","3-Acetylamino-1,4-benzoquinone 4-Oxime","Acta Crystallographica Section C","1995","51","6","1187","1189","10.1107/S0108270194012837","","","0.71069","MoKα","","","0.056","","","0.0545","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003551","6.003","0.005","8.301","0.006","11.432","0.01","90","","94.39","0.05","90","","568","0.8","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N3 O2 -","- C4 H7 N3 O2 -","- C16 H28 N12 O8 -","4","1","HA1112","Kettmann, V.; Svetlík, J.; Schantl, J. G.","4,5-Dihydro-5,5-dimethyl-3<i>H</i>-1,2,4-triazol-3-one 1-Oxide","Acta Crystallographica Section C","1995","51","6","1133","1135","10.1107/S0108270194011947","","","0.71069","MoKα","","","0.062","","","0.074","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003552","10.888","0.002","9.329","0.001","12.628","0.001","90","","95.03","0.01","90","","1277.7","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","HA1116","Kendi, E.; Özbey, S.; Ide, S.; Fun, H.-K.; Yip, B.-C.","The Phenylhydrazone Form of 2-(4-Chlorophenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","6","1144","1146","10.1107/S0108270194012047","","","0.7107","MoKα","","","0.0476","","","0.0567","","","","","2.22","2.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003553","12.569","0.004","5.1148","0.0007","21.74","0.01","90","","104.04","0.04","90","","1355.9","0.8","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 P -","- C12 H27 P -","- C48 H108 P4 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.041","","","0.049","","","","","2","2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003554","9.219","0.001","13.768","0.005","11.133","0.002","90","","111.36","0.01","90","","1316","0.6","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 P -","- C12 H27 P -","- C48 H108 P4 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.04","","","0.045","","","","","1.8","1.8","","","","","has coordinates","278038","2022-09-21","10:28:06",""
"2003555","9.859","0.002","15.01","0.006","11.947","0.005","90","","113.91","0.02","90","","1616.2","1","102","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 P Si3 -","- C9 H27 P Si3 -","- C36 H108 P4 Si12 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.034","","","0.046","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003556","21.472","0.005","9.117","0.001","5.186","0.001","90","","90","","90","","1015.2","0.3","102","","","","","","","","","","see text","3","P n m a","-P 2ac 2n","62","","","","- C3 H9 P -","- C3 H18 P2 -","- C24 H144 P16 -","8","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.037","","","0.049","","","","","1.9","1.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003557","9.495","0.004","7.421","0.001","11.151","0.003","90","","90.71","0.02","90","","785.7","0.4","102","","","","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 P -","- C6 H15 P -","- C24 H60 P4 -","4","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.059","","","0.068","","","","","4.7","4.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003558","11.152","0.003","14.767","0.004","12.816","0.003","90","","102.56","0.002","90","","2060.1","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 N8 O12 Zn2 -","- C36 H44 N8 O12 Zn2 -","- C72 H88 N16 O24 Zn4 -","2","0.5","HR1048","Skorsepa, J.; Györyovà, K.; Melník, M.; Smolander, K.; Ahlgrén, M.","Dimeric Bis(μ-propionato-<i>O</i>:<i>O</i>')bis[bis(nicotinamide-<i>N</i>)(propionato-<i>O</i>)zinc(II)]","Acta Crystallographica Section C","1995","51","6","1069","1071","10.1107/S0108270194014186","","","0.71073","MoKα","","","0.0499","","","0.0651","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003559","9.477","0.001","7.463","0.001","26.727","0.003","90","","90","","90","","1890.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 K O5 -","- C8 H6 K O5 -","- C64 H48 K8 O40 -","8","1","HU1120","Kariuki, B. M.; Jones, W.","Potassium Hydrogen Phthalate Hemiperhydrate","Acta Crystallographica Section C","1995","51","6","1128","1130","10.1107/S0108270194012497","","","0.71069","MoKα","","0.1379","0.0449","","0.106","0.0859","","","","0.93","1.262","1.262","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003560","14.506","0.004","3.7329","0.001","19.245","0.003","90","","91.45","0.02","90","","1041.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Sodium o-chloro-trans-cinnamate dihydrate","","","- C9 H10 Cl Na O4 -","- C9 H10 Cl Na O4 -","- C36 H40 Cl4 Na4 O16 -","4","1","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0461","0.034","","0.1037","0.0943","","","","1.067","1.156","1.156","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003561","6.025","0.003","5.385","0.003","29.991","0.014","90","","94.46","0.04","90","","970.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetra-aqua-magnesium bis(o-hydroxy-trans-cinnamate)","","","- C18 H22 Mg O10 -","- C18 H22 Mg O10 -","- C36 H44 Mg2 O20 -","2","0.5","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0524","0.0425","","0.1171","0.1138","","","","1.107","1.177","1.177","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2003562","12.513","0.002","17.356","0.003","10.172","0.002","90","","102.66","0.003","90","","2155.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl3 O3 -","- C25 H17 Cl3 O3 -","- C100 H68 Cl12 O12 -","4","1","HU1130","Anulewicz, R.; Świrska, B.; Milart, P.","Pyrylium Salts. VII. 2,4,6-Triphenylpyrylium Trichloroacetate","Acta Crystallographica Section C","1995","51","6","1180","1182","10.1107/S0108270194012515","","","1.54178","CuKα","","0.0712","0.0681","","0.1844","0.177","","","","1.046","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003563","7.029","0.002","11.598","0.003","13.172","0.02","103.85","0.02","89.14","0.02","95.87","","1037.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Berberine Chloride tetrahydrate","","","- C20 H26 Cl N O8 -","- C20 H26 Cl N O8 -","- C40 H52 Cl2 N2 O16 -","2","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.1273","0.0701","","0.2214","0.1947","","","","0.98","1.238","1.238","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003564","7.3712","0.001","11.2724","0.001","13.3998","0.001","77.587","0.007","73.299","0.007","78.228","0.008","1029.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Berberine chloride ethanol solvate hemihydrate","","","- C22 H25 Cl N O5.5 -","- C22 H25 Cl N O5.5 -","- C44 H50 Cl2 N2 O11 -","2","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.126","0.0562","","0.1879","0.1534","","","","0.99","1.302","1.302","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2003565","21.974","0.003","7.2","0.007","26.151","0.003","90","","110.18","0.01","90","","3883","4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Berberine bromide dihydrate","","","- C20 H22 Br N O6 -","- C20 H22 Br N O6 -","- C160 H176 Br8 N8 O48 -","8","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.1631","0.0471","","0.0971","0.0839","","","","0.831","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003566","7.0814","0.001","15.917","0.002","16.154","0.002","90","","99.126","0.01","90","","1797.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Berberine Iodide","","","- C20 H18 I N O4 -","- C20 H18 I N O4 -","- C80 H72 I4 N4 O16 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2655","0.0666","","0.1288","0.1","","","","0.75","1.277","1.277","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003567","23.198","0.03","6.918","0.01","24.963","0.03","90","","96.65","0.09","90","","3979","9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis(berberine) sulphate heptadydrate","","","- C40 H50 N2 O19 S -","- C40 H50 N2 O19 S -","- C160 H200 N8 O76 S4 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2867","0.0764","","0.2046","0.1649","","","","0.732","1.321","1.321","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2003568","6.11","0.001","8.205","0.001","5.868","0.001","90","","90","","90","","294.18","0.08","294","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mercury Selenite","Mercury(II) Selenate(IV)","","- Hg O3 Se -","- Hg O3 Se -","- Hg4 O12 Se4 -","4","0.5","HU1145","Koskenlinna, M.; Valkonen, J.","Mercury(II) Selenite","Acta Crystallographica Section C","1995","51","6","1040","1042","10.1107/S0108270194014770","","","0.71073","MoKα","","","0.026","","","0.032","","","","","0.363","0.363","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003569","15.919","0.005","10.307","0.009","16.23","0.02","90","","104.93","0.04","90","","2573","4","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H80 P12 Th -","- C32 H80 P12 Th -","- C64 H160 P24 Th2 -","2","1","JZ1000","Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W.","Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV)","Acta Crystallographica Section C","1995","51","6","1060","1063","10.1107/S0108270194011790","","","0.71069","MoKα","","","0.0447","","","0.1026","","","","","0.515","0.515","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003570","28.058","0.006","17.315","0.002","14.962","0.001","90","","101.36","0.01","90","","7126.5","1.8","293","","","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Ag4.46 Cu0.54 N P2 -","- C84 H60 Ag5 Cu3 N P2 -","- C336 H240 Ag20 Cu12 N4 P8 -","4","0.5","JZ1005","Al-Farhan, K. A.; Abu-Salah, O. M.; Mukhalalati, M.; Jaafar, M.","Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster","Acta Crystallographica Section C","1995","51","6","1089","1092","10.1107/S0108270194014162","","","0.71073","MoKα","","","0.032","","","0.082","","","","","1.021","1.021","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003571","5.094","0.002","5.273","0.002","7.572","0.003","102.52","0.02","104.45","0.02","102.07","0.02","184.67","0.13","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","1","0.5","JZ1007","Effenberger, H.","Polytypism of CuFe~2~(OH)~2~(AsO~4~)~2~: the Triclinic Modification","Acta Crystallographica Section C","1995","51","6","1042","1045","10.1107/S0108270194014617","","","0.710688","MoKα","","","0.02","","","0.019","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003572","9.594","0.005","12.43","0.005","16.893","0.009","109.71","0.02","99.13","0.03","105.9","0.03","1752.4","1.6","213","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cl2 O2 P2 Re -","- C39 H37 Cl2 O2 P2 Re -","- C78 H74 Cl4 O4 P4 Re2 -","2","1","JZ1019","Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J.","<i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1995","51","6","1078","1080","10.1107/S0108270194013314","","","0.71073","MoKα","","","0.0207","","","0.0509","","","","","1.108","1.108","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003573","19.907","0.005","19.907","0.005","6.43","0.005","90","","90","","90","","2548","2","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","Bis(phthalocyaninato)erbium","Bis[29H,31H-phthalocyaninato-N^29^,N^30^,N^31^,N^32^]erbium","","- C64 H32 Er N16 -","- C64 H32 Er N16 -","- C128 H64 Er2 N32 -","2","0.125","JZ1021","Ostendorp, G.; Werner, J.-P.; Homborg, H.","Bis(phthalocyaninato)erbium (α1 Phase)","Acta Crystallographica Section C","1995","51","6","1125","1128","10.1107/S0108270195000126","","","0.71069","MoKα","","0.0632","0.0478","","0.2013","0.1831","","","","1.274","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003574","7.223","0.003","13.913","0.0015","14.931","0.0015","100.655","0.009","101.33","0.03","90.32","0.02","1444.5","0.7","293","2","293","2","","","","","","","crystallized from water/acetone","6","P -1","-P 1","2","fac-Dipyridiniomethane-Trifluorotrichloroosmate(IV)","fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)","","- C11 H12 Cl3 F3 N2 Os -","- C11 H12 Cl3 F3 N2 Os -","- C44 H48 Cl12 F12 N8 Os4 -","4","2","JZ1030","Bruhn, C.; Preetz, W.","<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]","Acta Crystallographica Section C","1995","51","6","1112","1116","10.1107/S0108270194015015","","","0.71069","MoKα","","0.0222","0.0187","","0.0525","0.0503","","","","1.199","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003575","9.676","0.005","14.046","0.003","10.476","0.003","90","","97.357","0.004","90","","1412.1","0.9","293","2","293","2","","","","","","","crystallized from water/acetone","6","P 1 21/n 1","-P 2yn","14","mer-Dipyridiniomethane-Trifluorotrichloroosmate(IV)","mer-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)","","- C11 H12 Cl3 F3 N2 Os -","- C11 H12 Cl3 F3 N2 Os -","- C44 H48 Cl12 F12 N8 Os4 -","4","1","JZ1030","Bruhn, C.; Preetz, W.","<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]","Acta Crystallographica Section C","1995","51","6","1112","1116","10.1107/S0108270194015015","","","0.71069","MoKα","","0.035","0.0183","","0.0453","0.039","","","","1.139","1.094","1.094","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003576","10.957","0.001","12.836","0.002","16.466","0.003","90","","90","","90","","2315.8","0.6","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O12 -","- C23 H33 N O12 -","- C92 H132 N4 O48 -","4","1","KA1049","Urbanczyk-Lipkowska, Z.","A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O)","Acta Crystallographica Section C","1995","51","6","1184","1187","10.1107/S010827019301265X","","","0.71069","MoKα","","","0.046","","","0.039","","","","","1.348","1.348","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003577","13.342","0.001","17.709","0.002","9.723","0.002","90","","97.23","0.01","90","","2279","0.6","295","2","","","","","","","","","CH~3~CH/H~2~O","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 B2 N12 Zn -","- C18 H20 B2 N12 Zn -","- C72 H80 B8 N48 Zn4 -","4","1","KH1006","Nakata, K.; Kawabata, S.; Ichikawa, K.","Bis[hydrotris(1-pyrazolyl-<i>N</i>^2^)borato]zinc(II)","Acta Crystallographica Section C","1995","51","6","1092","1094","10.1107/S0108270194013880","","","0.71073","MoKα","","","0.0467","","","0.0476","","","","","1.79","1.79","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2003578","14.049","0.001","7.874","0.0008","15.017","0.001","90","","115.45","0.01","90","","1499.9","0.2","293","2","293","2","","","","","","","Single crystals of vanillin were grown by gel technique. Details are published elsewhere (Sureshkumar, Sivakumar & Natarajan, 1994).","3","P 1 21 1","P 2yb","4","","3-methoxy-4-hydroxybenzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","LI1126","Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S.","Vanillin-I","Acta Crystallographica Section C","1995","51","6","1131","1133","10.1107/S0108270194011923","","","0.71073","MoKα","","0.0426","0.025","","0.0658","0.0603","","","","0.97","1.066","1.066","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2003579","6.059","0.001","11.598","0.002","17.253","0.004","90","","90","","90","","1212.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrobenzaldehydephenylhydrazone","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","LI1127","Velavan, R.; Sivakumar, K.; Anbu, M.","(<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone","Acta Crystallographica Section C","1995","51","6","1227","1229","10.1107/S0108270194012606","","","1.5418","CuKα","","0.0398","0.0368","","0.1097","0.1074","","","","1.058","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003580","13.537","0.01","14.111","0.007","12.06","0.01","99.98","0.06","90.24","0.07","94.02","0.06","2263","3","188","","","","","","","","","","crystallization from ethanol","5","P -1","-P 1","2","","","","- C94 H102 Cu4 O14 P4 -","- C94 H102 Cu4 O14 P4 -","- C94 H102 Cu4 O14 P4 -","1","0.5","MU1081","Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G.","Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~]","Acta Crystallographica Section C","1995","51","6","1082","1084","10.1107/S0108270194009935","","","1.54178","CuKα","","","0.0697","","","0.0734","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003581","7.435","0.003","14.124","0.003","13.693","0.003","90","","111.03","0.03","90","","1342.2","0.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","bis(2-chloro-6-flourobenzoato)di(nicotinamide)copper(II)","","- C26 H18 Cl2 Cu F2 N4 O6 -","- C26 H18 Cl2 Cu F2 N4 O6 -","- C52 H36 Cl4 Cu2 F4 N8 O12 -","2","0.5","MU1108","Hoang, N. N.; Valach, F.; Dunaj-Jurčo, M.","Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II)","Acta Crystallographica Section C","1995","51","6","1095","1097","10.1107/S0108270194013922","","","0.71069","MoKα","","","0.047","","","0.045","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003582","9.494","0.001","9.494","0.001","11.203","0.002","90","","90","","90","","1009.8","0.2","293","","","","","","","","","","Et~2~O/MeCN","6","P 4/m b m","-P 4 2ab","127","","","","- C8 H12 F12 N4 P2 Pt -","- C8 H12 F12 N4 P2 Pt -","- C16 H24 F24 N8 P4 Pt2 -","2","0.125","MU1154","Crossley, J. G.; Orpen, A. G.","[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)","Acta Crystallographica Section C","1995","51","6","1102","1105","10.1107/S0108270194014587","","","0.71073","MoKα","","","0.0287","","","0.0339","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003583","9.434","0.002","9.434","0.002","11.27","0.003","90","","90","","90","","1003","0.4","293","","","","","","","","","","Et~2~O/MeCN solvent diffusion","6","P 4/m b m","-P 4 2ab","127","","","","- C8 H12 F12 N4 P2 Pd -","- C8 H12 F12 N4 P2 Pd -","- C16 H24 F24 N8 P4 Pd2 -","2","0.125","MU1154","Crossley, J. G.; Orpen, A. G.","[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)","Acta Crystallographica Section C","1995","51","6","1102","1105","10.1107/S0108270194014587","","","0.71073","MoKα","","","0.0289","","","0.0466","","","","","1.817","1.817","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003584","11.749","0.001","23.342","0.002","12.644","0.002","90","","111.32","0.01","90","","3230.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(triphenylarsine)chloromethylplatinum(II)","","- C37 H33 As2 Cl Pt -","- C37 H33 As2 Cl Pt -","- C148 H132 As8 Cl4 Pt4 -","4","1","MU1156","Roodt, A.; Otto, S.; Leipoldt, J. G.","<i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II)","Acta Crystallographica Section C","1995","51","6","1105","1106","10.1107/S0108270194014599","","","0.71073","MoKα","","0.0275","0.0275","","0.0696","0.0696","","","","1.066","1.066","1.066","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003585","13.747","0.009","21.08","0.04","10.3","0.01","90","","98.97","0.06","90","","2948","7","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N O3 Si -","- C34 H39 N O3 Si -","- C136 H156 N4 O12 Si4 -","4","1","NA1106","Urtiaga, M. K.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.","(1<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-4-<i>tert</i>-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1995","51","6","1232","1234","10.1107/S0108270194012825","","","0.71073","MoKα","","","0.071","","","0.094","","","","","1.115","1.115","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003586","7.59","0.001","11.64","0.001","11.748","0.003","88","0.01","88.08","0.01","80.02","0.01","1021.2","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","3-(4-butoxycarbonyl-phenyloxycarbonyl)-Xanthen-9-one","","- C25 H20 O6 -","- C25 H20 O6 -","- C50 H40 O12 -","2","1","NA1123","Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R.","3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one","Acta Crystallographica Section C","1995","51","6","1211","1213","10.1107/S0108270194012710","","","1.54178","CuKα","","0.05","0.044","","","0.067","","","","","3.021","3.021","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003587","9.1706","0.0041","9.3871","0.0073","9.5577","0.0027","112.988","0.057","113.552","0.022","93.402","0.051","671.3","0.8","250","","250","","","","","","","","synthetic","7","P 1","P 1","1","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-π-allyl-palladium(II)- hexa-fluorophosphat","","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","1","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0176","","","0.0206","","","","","1.0996","1.0996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003588","12.6087","0.0025","15.2262","0.0192","18.5205","0.007","90","","90","","90","","3556","5","250","","250","","","","","","","","synthetic","7","P 21 21 21","P 2ac 2ab","19","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-{π-1,3-diphenylallyl}- palladium(II)-hexafluorophosphat","","- C38 H39 F6 N2 O2 P Pd -","- C38 H39 F6 N2 O2 P Pd -","- C152 H156 F24 N8 O8 P4 Pd4 -","4","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0309","","","0.0183","","","","","1.1326","1.1326","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003589","7.256","0.001","9.3991","0.0009","30.265","0.003","90","","90","","90","","2064.1","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","NA1126","Puliti, R.; De Rosa, S.; Mattia, C. A.","Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i>","Acta Crystallographica Section C","1995","51","6","1195","1198","10.1107/S0108270194012722","","","1.54056","CuKα","","","0.0441","","","0.0438","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003590","11.746","0.001","16.535","0.001","24.139","0.001","90","","90","","90","","4688.3","0.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N8 Ni O6 -","- C20 H24 N8 Ni O6 -","- C160 H192 N64 Ni8 O48 -","8","1","NA1132","Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C.","[<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate","Acta Crystallographica Section C","1995","51","6","1107","1109","10.1107/S010827019401406X","","","0.71073","MoKα","","","0.034","","","0.065","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003591","7.24","0.001","14.373","0.003","7.444","0.002","90","","90","","90","","774.6","0.3","293","","","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C6 H5 B F3 K -","- C6 H5 B Ce F3 K -","- C24 H20 B4 Ce4 F12 K4 -","4","1","NA1133","Conole, G.; Clough, A.; Whiting, A.","Potassium Trifluorophenylborate","Acta Crystallographica Section C","1995","51","6","1056","1059","10.1107/S0108270194014198","","","0.71073","MoKα","","","0.0481","","","0.0501","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003592","6.537","0.004","15.04","0.009","14.572","0.01","90","","92.92","0.05","90","","1430.8","1.6","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)-threo-2,3-diphenyl, 3-hydroxypropanoic acid, dimethylamide","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","NA1137","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide","Acta Crystallographica Section C","1995","51","6","1169","1170","10.1107/S0108270194014666","","","0.71073","MoKα","","0.0705","0.0445","","0.0916","0.068","","","","","0.73","0.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003593","12.705","0.004","21.68","0.006","13.013","0.004","90","","113.1","0.02","90","","3297","1.8","293","2","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl3 H18 N6 Ru -","- Cl3 H19 N6 Ru -","- Cl36 H228 N72 Ru12 -","12","1.5","OH1062","Engelhardt, L. M.; Reynolds, P. A.; Sobolev, A. N.","Reconciling the Crystal Structure of [Ru(NH~3~)~6~]Cl~3~ with its ESR Properties","Acta Crystallographica Section C","1995","51","6","1045","1047","10.1107/S0108270194009522","","","0.71073","MoKα","","","0.0271","","","0.0695","","","","","1.179","1.179","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003594","14.351","0.003","6.468","0.001","11.498","0.002","90","","118.42","0.01","90","","938.6","0.3","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- H16 Na2 O10 -","- H16 Na2 O10 -","- H64 Na8 O40 -","4","0.5","OH1071","Grehl, M.; Fröhlich, R.; Thiele, S.","Na~2~O~2~.8H~2~O","Acta Crystallographica Section C","1995","51","6","1038","1040","10.1107/S010827019401382X","","","0.71073","MoKα","","","0.0241","","","0.07","","","","","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003595","24.633","0.005","16.44","0.002","7.465","0.001","90","","92.86","0.01","90","","3019.3","0.8","293","","","","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O6 -","- C18 H15 O6 -","- C144 H120 O48 -","8","2","PA1095","Wallet, J.-C.; Cody, V.","A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone","Acta Crystallographica Section C","1995","51","6","1193","1195","10.1107/S0108270194005986","","","1.54184","CuKα","","","0.052","","","0.064","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003596","12.258","0.007","22.289","0.004","13.297","0.006","90","","104.64","0.04","90","","3515","3","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H44 Cl2 N2 O13 -","- C30 H44 Cl2 N2 O13 -","- C120 H176 Cl8 N8 O52 -","4","1","PA1136","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand","Acta Crystallographica Section C","1995","51","6","1218","1221","10.1107/S0108270194013570","","","0.71073","MoKα","","","0.061","","","0.056","","","","","1.47","1.47","","","","","has coordinates","198441","2020-10-21","18:00:00",""
"2003597","30.912","0.007","7.719","0.002","6.184","0.006","95.4","0.07","87.16","0.07","94.85","0.02","1462.5","1.5","293","","293","","","","","","","","crystallized from toluene","4","P 1","P 1","1","","4-(2,2,3,3,4,4,4-heptafluorobutyloxycarbonyl)phenyl undecyloxybenzoate","","- C29 H33 F7 O5 -","- C29 H33 F7 O5 -","- C58 H66 F14 O10 -","2","2","PA1138","Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T.","A Mesogenic Perfluorinated Compound","Acta Crystallographica Section C","1995","51","6","1229","1231","10.1107/S0108270194013582","","","0.71069","MoKα","","","0.0452","","","0.0459","","","","","1.229","1.229","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2003598","16.881","0.009","12.659","0.009","9.201","0.006","90","","90","","90","","1966.5","","298","","","","","","","","","","from hexane","4","P m n b","","","","","","- C19 H26 Cl2 Ti -","- C9.5 H13 Cl Ti0.5 -","- C38 H52 Cl4 Ti2 -","4","0.5","","Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P.","syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium","Acta Crystallographica Section C","1995","51","6","1063","1064","10.1107/S0108270194014083","","","0.71069","MoKα","","","0.049","","","0.055","","","","","1.4","1.4","","","","","has coordinates","175029","2020-10-21","18:00:00",""
"2003599","8.017","0.002","11.103","0.003","8.263","0.003","90","","111.53","0.04","90","","684.2","0.4","293","","293","","","","","","","","from chemical synthesis","3","P 1 21 1","P 2yb","4","","2α,3α,7β,13β-diépoxy-trans-himachalane.","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1152","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,13β-Diépoxy-<i>trans</i>-himachalane","Acta Crystallographica Section C","1995","51","6","1171","1173","10.1107/S0108270194014125","","","0.7107","MoKα","","","0.057","","","0.075","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003600","10.785","0.005","15.709","0.006","20.884","0.008","90","","100.89","0.03","90","","3474","2","293","","293","","","","","","","","dimethylformamide/chloroform","6","P 1 21/n 1","-P 2yn","14","","1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selena- diazadiphosphorin","","- C27 H24 Cl8 N2 P2 Se -","- C27 H24 Cl8 N2 P2 Se -","- C108 H96 Cl32 N8 P8 Se4 -","4","1","SE1064","Bolte, M.","1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selenadiazadiphosphorin","Acta Crystallographica Section C","1995","51","6","1209","1211","10.1107/S0108270194008334","","","0.71069","MoKα","","0.18","0.1048","","0.2991","0.2524","","","","1.023","1.278","1.278","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003601","7.838","0.004","15.318","0.004","8.84","0.004","90","","116.22","0.04","90","","952.1","0.8","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H7 N O3 -","- C11 H7 N O3 -","- C44 H28 N4 O12 -","4","1","SE1071","Steiner, T.","<i>N</i>-(Propargyloxy)phthalimide","Acta Crystallographica Section C","1995","51","6","1135","1136","10.1107/S0108270194012941","","","1.54184","CuKα","","","0.049","","","0.049","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003602","11.623","0.001","20.861","0.002","12.57","0.001","90","","116.47","0.01","90","","2728.3","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-O-(Cyclohexylcarbamoyl)-6-deoxy-3,4-O- -(hexafluoroisopropylidene)-α-L-altropyranoside","","- C43 H52 F24 N2 O15 -","- C43 H52 F24 N2 O15 -","- C86 H104 F48 N4 O30 -","2","1","SE1073","Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R.","The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K","Acta Crystallographica Section C","1995","51","6","1198","1201","10.1107/S0108270194011157","","","1.54178","CuKα","","0.0489","0.0475","","0.1284","0.1246","","","","1.038","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003603","15.279","0.006","16.864","0.006","10.424","0.003","90","","90","","90","","2685.9","1.6","293","","","","","","","","","","Synthese in unserem Labor, Kristalle aus THF/n-Hexan","6","P b c n","-P 2n 2ab","60","","","","- C22 H26 Cl4 N5 O2 P3 -","- C22 H26 Cl4 N5 O2 P3 -","- C88 H104 Cl16 N20 O8 P12 -","4","0.5","SE1074","Diefenbach, U.; Allcock, H. R.; Visscher, K. B.","Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren","Acta Crystallographica Section C","1995","51","6","1215","1218","10.1107/S0108270194013636","","","0.71073","MoKα","","","0.054","","","0.041","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003604","9.199","0.003","10.278","0.003","13.057","0.003","102.17","0.02","99.36","0.03","92.69","0.02","1186.5","0.6","300","1","300","1","","","","","","","","5","P -1","-P 1","2","","Bis-(tetraphenylphosphonium)-hexachlorodiindat(II)","","- C48 H40 Cl6 In2 P2 -","- C48 H40 Cl6 In2 P2 -","- C48 H40 Cl6 In2 P2 -","1","0.5","SE1075","Bubenheim, W.; Frenzen, G.; Müller, U.","Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN","Acta Crystallographica Section C","1995","51","6","1120","1124","10.1107/S0108270194011789","","","0.71073","MoKα","","0.0443","0.0319","","0.0812","0.0758","","","","1.025","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003605","10.093","0.002","11.018","0.003","22.133","0.004","96.03","0.02","95.25","0.02","107.34","0.02","2316.8","0.9","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium-pentachloroindat(III)-Acetonitril","","- C50 H43 Cl5 In N P2 -","- C49 H40 Cl5 In N0.5 P2 -","- C98 H80 Cl10 In2 N P4 -","2","1","SE1075","Bubenheim, W.; Frenzen, G.; Müller, U.","Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN","Acta Crystallographica Section C","1995","51","6","1120","1124","10.1107/S0108270194011789","","","0.71073","MoKα","","0.0366","0.0297","","0.0804","0.0762","","","","1.056","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003606","8.336","0.002","18.259","0.005","15.183","0.004","90","","91.58","0.02","90","","2310.1","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I2 P2 -","- C20 H30 I2 P2 -","- C80 H120 I8 P8 -","4","1","SH1103","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Brusdeilins, N.","1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan","Acta Crystallographica Section C","1995","51","6","1139","1141","10.1107/S0108270194013272","","","0.71073","MoKα","","0.1039","0.0703","","0.183","0.1456","","","","1.532","1.554","1.554","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003607","13.829","0.002","13.829","0.002","26.687","0.004","90","","90","","120","","4419.9","1.1","233","2","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C30 H39 O3 P S -","- C30 H39 O3 P S -","- C180 H234 O18 P6 S6 -","6","0.333333","SH1106","Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G.","Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS","Acta Crystallographica Section C","1995","51","6","1207","1209","10.1107/S0108270194013624","","","0.71069","MoKα","","","0.044","","","0.107","","","","","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003608","13.526","0.007","7.801","0.007","8.706","0.011","90","","109.14","0.05","90","","867.8","1.4","293","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 Cr2 N2 O7 -","- C2 H10 Cr2 N2 O7 -","- C8 H40 Cr8 N8 O28 -","4","0.5","SH1107","Lorenzo-Luis, P. A.; Martín-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L.","Ethylenediaminium Dichromate","Acta Crystallographica Section C","1995","51","6","1073","1075","10.1107/S0108270194014836","","","0.71073","MoKα","","","0.0223","","","0.0733","","","","","0.837","0.837","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003609","9.68","0.005","12.846","0.005","16.944","0.006","90","","90","","90","","2107","1.6","293","","","","","","","","","","synthesized in our own laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl2 O Ti -","- C23 H26 Cl2 O Ti -","- C92 H104 Cl8 O4 Ti4 -","4","1","TA1007","Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T.","Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV)","Acta Crystallographica Section C","1995","51","6","1065","1067","10.1107/S0108270194013910","","","0.71069","MoKα","","","0.066","","","0.086","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003610","14.648","0.002","9.8802","0.0005","10.9","0.001","90","","134.984","0.003","90","","1115.8","0.2","300","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H27 Cl2 N Sn -","- C22 H27 Cl2 N Sn -","- C44 H54 Cl4 N2 Sn2 -","2","0.5","TA1012","Ng, S. W.","Tetramethylammonium Dichlorotriphenylstannate","Acta Crystallographica Section C","1995","51","6","1124","1125","10.1107/S0108270194014678","","","0.71073","MoKα","","","0.02","","","0.025","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003611","15.964","0.003","13.603","0.001","10.835","0.002","90","","97","0.007","90","","2335.4","0.6","298","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","diaqua-2,13-dimethyl-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaenemagnesium(II) perchlorate","","- C15 H25 Cl2 Mg N3 O12 -","- C15 H25 Cl2 Mg N3 O12 -","- C60 H100 Cl8 Mg4 N12 O48 -","4","0.5","TA1014","Othman, A. H.; Ng, S. W.","Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate","Acta Crystallographica Section C","1995","51","6","1059","1060","10.1107/S0108270194014848","","","0.71073","MoKα","","0.1008","0.0675","","0.1994","0.17","","","","1.062","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003612","16.38","0.003","5.5227","0.0005","17.355","0.003","90","","108.78","0.08","90","","1486.4","0.8","300","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C52 H64 N8 O20 S4 -","4","1","TA1018","Ng, S. W.","<i>S</i>-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C~8~H~11~N~2~S^+^.C~5~H~5~O~5~^{-^}","Acta Crystallographica Section C","1995","51","6","1143","1144","10.1107/S0108270194012382","","","0.71073","MoKα","","","0.06","","","0.069","","","","","0.465","0.465","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003613","13.247","0.003","6.769","0.001","7.302","0.001","90","","107.39","0.02","90","","624.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","di-chloro-bis(1-ethyltetrazole)copper(II)","trans-di-chloro-bis(1-ethyltetrazole-N^4^)copper(II)","","- C6 H12 Cl2 Cu N8 -","- C6 H12 Cl2 Cu N8 -","- C12 H24 Cl4 Cu2 N16 -","2","0.5","VS1015","Virovets, A. V.; Podberezskaya, N. V.; Lavrenova, L. G.; Bikzhanova, G. A.","<i>trans</i>-Dichlorobis(1-ethyltetrazole-<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","1995","51","6","1084","1087","10.1107/S0108270194013429","","","1.54178","CuKα","","0.0628","0.0611","","0.1663","0.1636","","","","1.065","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003614","5.335","0.002","10.625","0.002","11.886","0.002","109.36","0.02","96.47","0.02","90.56","0.02","630.8","0.3","298","","","","","","","","","","slow recrystallization from DMF","5","P -1","-P 1","2","","","","- C12 H12 N4 O2 S -","- C12 H12 N4 O2 S -","- C24 H24 N8 O4 S2 -","2","1","AB1125","Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A.","6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine","Acta Crystallographica Section C","1995","51","7","1392","1394","10.1107/S0108270194013831","","","0.71069","MoKα","","","0.061","","","0.068","","","","","1.11","1.11","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003615","10.412","0.003","12.9","0.002","16.892","0.005","81.48","0.03","73.48","0.03","79.6","0.02","2128.1","1","293","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O2 -","- C48 H64 O2 -","- C96 H128 O4 -","2","1","AB1130","Ting, Y.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.","1,3-Diethoxy-2,4-didehydroxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section C","1995","51","7","1465","1467","10.1107/S0108270194014150","","","0.7107","MoKα","","","0.07","","","0.08","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003616","9.093","0.007","12.108","0.009","12.599","0.008","64.1","0.04","80.35","0.05","87.61","0.06","1229.4","1.6","178","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Ni2 O16 Sb4 -","- C32 H80 Ni2 O16 Sb4 -","- C32 H80 Ni2 O16 Sb4 -","1","0.5","AB1151","Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.","Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn","Acta Crystallographica Section C","1995","51","7","1260","1263","10.1107/S0108270195000783","","","0.71073","MoKα","","","0.033","","","0.038","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003617","9.143","0.004","12.318","0.004","12.798","0.004","63.65","0.02","79.9","0.02","86.86","0.02","1271.1","0.8","178","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Mn2 O16 Sb4 -","- C32 H80 Mn2 O16 Sb4 -","- C32 H80 Mn2 O16 Sb4 -","1","0.5","AB1151","Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.","Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn","Acta Crystallographica Section C","1995","51","7","1260","1263","10.1107/S0108270195000783","","","0.71073","MoKα","","","0.039","","","0.054","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003618","10.879","0.005","17.591","0.007","10.649","0.005","102.96","0.04","97.46","0.03","81.64","0.03","1954.9","1.5","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 P2 Pd2 S4 -","- C40 P2 Pd2 S4 -","- C80 P4 Pd4 S8 -","2","1","AB1192","Cao, R.; Hong, M.; Jiang, F.; Liu, H.","A Dinuclear Palladium Compound, [Pd~2~(PPh~3~)~2~(SC~2~H~4~S)~2~]","Acta Crystallographica Section C","1995","51","7","1280","1282","10.1107/S0108270194015076","","","0.71073","MoKα","","","0.041","","","0.047","","","","","3.327","3.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003619","12.841","0.007","8.113","0.004","14.219","0.007","90","","115.89","0.04","90","","1332.6","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Hydroxy-4'-methoxy Flavanone","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","AB1220","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxy-4'-methoxyflavanone","Acta Crystallographica Section C","1995","51","7","1442","1444","10.1107/S010827019500062X","","","0.71073","MoKα","","0.1035","0.0598","","0.1868","0.1614","","","","1.075","1.276","1.276","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003620","5.894","0.003","12.954","0.001","23.602","0.002","90","","90","","90","","1802","0.9","293","","","","","","","","","","The material was supplied by Aldrich and recrystallized from toluene","3","F 2 d d","F -2d 2","43","","","","- C12 H8 F2 -","- C12 H8 F2 -","- C96 H64 F16 -","8","0.5","AB1225","Rajnikant; Watkin, D.; Tranter, G.","Disordered Fluorine in 2-Fluorobiphenyl","Acta Crystallographica Section C","1995","51","7","1452","1454","10.1107/S0108270195000631","","","1.54184","CuKα","","","0.04534","","","0.06006","","","","","0.85","0.85","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003621","5.9268","0.0002","19.6263","0.0015","22.9946","0.0024","90","","93.853","0.006","90","","2668.7","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl3 N12 O8 -","- C19 H15 Cl3 N12 O10 -","- C76 H60 Cl12 N48 O40 -","4","1","AB1234","Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J.","The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State","Acta Crystallographica Section C","1995","51","7","1401","1404","10.1107/S010827019500028X","","","1.5418","CuKα","","","0.062","","","0.071","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003622","21.8247","0.0007","21.8247","0.0007","11.1964","0.0004","90","","90","","120","","4618.5","0.3","295","","","","","","","","","","","3","P 62","P 62","171","","","","- C17 H20 O2 -","- C17 H20.5 O2 -","- C204 H246 O24 -","12","2","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.055","","","0.074","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003623","25.5347","0.0033","17.3004","0.0014","7.6486","0.0003","90","","90","","90","","3378.8","0.5","295","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C184 H160 O16 -","8","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.035","","","0.039","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003624","11.6039","0.0005","31.6071","0.0019","6.2398","0.0002","90","","102.22","0.003","90","","2236.69","0.18","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H71 N O4 -","- C52 H71 N O4 -","- C104 H142 N2 O8 -","2","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.049","","","0.056","","","","","1.15","1.15","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003625","7.487","0.002","15.47","0.007","8.131","0.007","90","","109.55","0.03","90","","887.5","0.9","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-amino-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate","","- C6 H8 N4 O3 S -","- C6 H8 N4 O3 S -","- C24 H32 N16 O12 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0466","0.0342","","0.1035","0.1002","","","","1.062","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003626","9.802","0.009","11.682","0.009","10.384","0.016","90","","108","0.1","90","","1131","2","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-tert butyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0489","0.0443","","0.1297","0.1276","","","","1.103","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003627","9.315","0.003","12.995","0.005","8.913","0.003","105.63","0.03","104.29","0.03","69.98","0.03","961.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3-chloro-1,2-propanediolato)bis(2,3-dimethyl-2,3- butanediolato)tungsten(VI)","","- C15 H29 Cl O6 W -","- C15 H29 Cl O6 W -","- C30 H58 Cl2 O12 W2 -","2","1","AB1247","Lehtonen, A.; Sillanpää, R.","(3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI)","Acta Crystallographica Section C","1995","51","7","1270","1271","10.1107/S0108270195000485","","","0.71069","MoKα","","0.0813","0.0466","","0.1225","0.1091","","","","1.056","1.076","1.076","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003628","10.352","0.002","7.119","0.001","10.652","0.002","90","","104.89","0.03","90","","758.6","0.3","130","2","130","2","","","","","","","evaporation from hexane/dichloromethane","5","P 1 21 1","P 2yb","4","","methyl (S)-2-benzenesulfonyloxy-4-bromo-4-methylpentanoate","","- C13 H17 Br O5 S -","- C13 H17 Br O5 S -","- C26 H34 Br2 O10 S2 -","2","1","AB1251","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (<i>S</i>)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","7","1411","1412","10.1107/S0108270195001818","","","0.71073","MoKα","","0.0555","0.04","","0.0898","0.0829","","","","1.05","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003629","9.834","0.005","10.973","0.006","11.51","0.006","112.51","0.02","89.56","0.02","107.24","0.02","1087.9","1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","anthracenecarboxylic anhydride","5,5'-di(anthracenecarboxylic) anhydride","","- C30 H18 O3 -","- C30 H18 O3 -","- C60 H36 O6 -","2","1","AB1274","Blake, A. J.; Grimditch, R. S.; Schröder, M.","5,5'-Di(anthracenecarboxylic) Anhydride","Acta Crystallographica Section C","1995","51","7","1472","1474","10.1107/S0108270195004306","","","0.71073","MoKα","","0.0935","0.0555","","0.1724","0.1285","","","","1.042","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003630","6.466","0.003","4.634","0.002","10.755","0.005","90","","94.74","0.04","90","","321.2","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C10 H8 N4 O8 -","2","1","AS1123","Stash, A. I.; Zavodnik, V. E.; Belsky, V. K.","A <i>Z</i> Isomer of 5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1303","1304","10.1107/S0108270194011042","","","0.71069","MoKα","","","0.03","","","0.08","","","","","1.13","1.13","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003631","10.086","0.003","8.829","0.002","10.503","0.002","90","","103.43","0.02","90","","909.7","0.4","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","AS1143","Okabe, N.; Suga, T.; Kohyama, Y.","<small>DL</small>-4-Hydroxy-3-methoxymandelic Acid","Acta Crystallographica Section C","1995","51","7","1322","1324","10.1107/S0108270194013259","","","0.71069","MoKα","","","0.047","","","0.054","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003632","13.945","0.009","15.406","0.008","13.83","0.008","90","","90","","90","","2971","3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 Br2 O4 -","- C13 H16 Br2 O4 -","- C104 H128 Br16 O32 -","8","1","AS1147","Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.","Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate","Acta Crystallographica Section C","1995","51","7","1397","1399","10.1107/S0108270195001235","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003633","11.528","0.003","9.166","0.001","14.655","0.002","90","","90","","90","","1548.5","0.5","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","1","AS1148","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","Phenyl Carbamidonitrile","Acta Crystallographica Section C","1995","51","7","1412","1414","10.1107/S0108270194014290","","","0.71073","MoKα","","","0.0436","","","0.0455","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003634","4.867","0.002","6.895","0.002","20.2","0.006","90","","95.23","0.01","90","","675","0.4","293","","","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","AS1151","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.077","","","0.104","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003635","20.828","0.003","20.828","0.003","7.832","0.002","90","","90","","120","","2942.4","1","293","","","","","","","","","","see text","3","R -3 :H","-R 3","148","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","AS1151","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.0408","","","0.057","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003636","7.144","0.003","7.641","0.002","7.7","0.004","62.13","0.01","68.28","0.01","76.39","0.01","344.2","0.3","293","","","","","","","","","","see text","3","P -1","-P 1","2","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C14 H16 O6 -","2","1","","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.0519","","","0.0733","","","","","1.1","1.1","","","","","has coordinates","175362","2020-10-21","18:00:00",""
"2003637","6.807","0.001","8.5813","0.0009","13.994","0.004","90","","98.2","0.01","90","","809.1","0.3","298","2","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cl N O3 -","- C6 H8 Cl N O3 -","- C24 H32 Cl4 N4 O12 -","4","1","AS1154","Smith, G.; Byriel, K. A.; Kennard, C. H. L.","2-Carboxypyridinium Chloride Monohydrate","Acta Crystallographica Section C","1995","51","7","1425","1427","10.1107/S0108270195000175","","","0.71073","MoKα","","","0.039","","","0.095","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003638","11.356","0.002","5.358","0.001","14.122","0.002","90","","105.94","","90","","826.2","0.2","296","","","","","","","","","","evaporation from water","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","AS1155","Okabe, N.; Suga, T.","3-(<i>p</i>-Hydroxyphenyl)propionic Acid","Acta Crystallographica Section C","1995","51","7","1324","1325","10.1107/S0108270194014964","","","0.71069","MoKα","","","0.05","","","0.063","","","","","2.44","2.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003639","14.298","0.003","14.4","0.003","27.187","0.003","90","","91.54","0.01","90","","5595.5","1.8","296","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","2","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","1.54178","CuKα","","","0.038","","","0.056","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003640","11.44","0.004","9.11","0.007","13.51","0.009","90","","90.8","0.3","90","","1407.9","1.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","0.7107","MoKα","","","0.063","","","0.077","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003641","10.33","0.001","24.092","0.001","21.543","0.001","90","","97.89","0.01","90","","5310.7","0.6","127","2","127","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquo-5,10,15,20-(Tetraphenylporphinato)iron(III) Perchlorate","","- C44 H32 Cl Fe N4 O6 -","- C44 H32 Cl Fe N4 O6 -","- C264 H192 Cl6 Fe6 N24 O36 -","6","1.5","BK1091","Cheng, B.; Scheidt, W. R.","Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~","Acta Crystallographica Section C","1995","51","7","1271","1275","10.1107/S0108270195001028","","","0.71073","MoKα","","0.1133","0.0684","","0.1939","0.1657","","","","1.057","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003642","32.456","0.005","5.674","0.002","3.995","0.002","90","","90","","90","","735.7","0.5","296","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Nb5 O17 Sr5 -","- Nb5 O17 Sr5 -","- Nb10 O34 Sr10 -","2","0.5","BR1096","Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G.","A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~","Acta Crystallographica Section C","1995","51","7","1243","1246","10.1107/S0108270195000977","","","0.71073","MoKα","","","0.0387","","","0.0449","","","","","3.396","3.396","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003643","6.7214","0.0006","13.8558","0.0007","7.2764","0.0004","90","","105.927","0.006","90","","651.64","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Al4 F9 K3 O8 P2 -","- Al4 F9 K3 O8 P2 -","- Al8 F18 K6 O16 P4 -","2","0.5","BR1099","Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N.","A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~]","Acta Crystallographica Section C","1995","51","7","1246","1249","10.1107/S0108270195000576","","","1.54178","CuKα","","0.0381","0.0333","","0.0912","0.0879","","","","1.03","1.056","1.056","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003644","7.479","0.002","12.221","0.005","19.306","0.006","90","","90","","90","","1764.6","1","295","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 F2 N2 O5 P S -","- C10 H25 F2 N2 O5 P S -","- C40 H100 F8 N8 O20 P4 S4 -","4","1","CR1095","Baenziger, N. C.; Burton, D. J.; Modak, A. S.","Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate","Acta Crystallographica Section C","1995","51","7","1355","1356","10.1107/S0108270194012254","","","0.71073","MoKα","","","0.034","","","0.056","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003645","7.37","0.001","10.919","0.002","9.887","0.001","90","","108.45","0.01","90","","754.74","0.19","293","","","","","","","","","","recrystallization from ethanol","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br N O3 -","- C6 H4 Br N O3 -","- C24 H16 Br4 N4 O12 -","4","1","CR1140","Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A.","5-Bromo-2-(2-nitroethenyl)furan","Acta Crystallographica Section C","1995","51","7","1368","1369","10.1107/S0108270194012394","","","0.71069","MoKα","","","0.05","","","0.06","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003646","9.248","0.002","16.521","0.004","10.359","0.002","90","","109.31","0.01","90","","1493.7","0.6","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","CR1149","Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H.","An Unexpected Intermediate in the Synthesis of Substituted Pyridones","Acta Crystallographica Section C","1995","51","7","1404","1407","10.1107/S0108270195001259","","","1.5406","CuKα","","","0.052","","","0.035","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003647","7.986","0.001","12.798","0.003","5.481","0.001","94.08","0.02","95.45","0.01","95.81","0.01","552.94","0.18","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N Na O9 S -","- C6 H10 N Na O9 S -","- C12 H20 N2 Na2 O18 S2 -","2","1","CR1155","Squattrito, P. J.","Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate","Acta Crystallographica Section C","1995","51","7","1282","1284","10.1107/S0108270195000849","","","0.71073","MoKα","","","0.031","","","0.032","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003648","5.502","0.001","15.384","0.001","9.918","0.002","90","","93.43","0.02","90","","838","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2',3'-dideoxy-3'-C-2'-N-[N(R)-methyl-5-(R)-ethoxycarbonyl-1,2-isoxazolidine] ribothymidine","","- C15 H21 N3 O7 -","- C15 H21 N3 O7 -","- C30 H42 N6 O14 -","2","1","CR1159","Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M.","2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine","Acta Crystallographica Section C","1995","51","7","1462","1464","10.1107/S0108270194014332","","","0.7107","MoKα","","0.0762","0.0369","","0.1311","0.0834","","","","1.05","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003649","15.134","0.002","7.403","0.002","17.27","0.002","90","","105.25","0.01","90","","1866.7","0.6","293","","293","","","","","","","","synthesized by authors","3","P 1 21 1","P 2yb","4","cholesteryl-4-octeneoxybenzoate","cholesteryl-4-octeneoxybenzoate","","- C42 H64 O3 -","- C42 H64 O3 -","- C84 H128 O6 -","2","1","CR1163","Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-(8-Octenyloxy)benzoate","Acta Crystallographica Section C","1995","51","7","1444","1447","10.1107/S010827019500093X","","","0.71073","MoKα","","0.163","0.059","","0.079","0.05","","","","1.492","1.549","1.549","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2003650","8.2796","0.0009","8.644","0.001","11.336","0.001","97.84","0.01","104.36","0.01","115.03","0.01","684.7","0.16","293","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O -","- C14 H12 Cl2 N2 O -","- C28 H24 Cl4 N4 O2 -","2","1","CR1173","Mague, J. T.; De, D.; Krogstad, D. J.","An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal","Acta Crystallographica Section C","1995","51","7","1423","1425","10.1107/S0108270195000151","","","0.71073","MoKα","","","0.038","","","0.049","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003651","9.418","0.006","14.31","0.01","6.303","0.007","90","","92.45","0.07","90","","848.7","1.2","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 F N O3 P -","- C6 H9 F N O3 P -","- C24 H36 F4 N4 O12 P4 -","4","1","DU1082","Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R.","Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^}","Acta Crystallographica Section C","1995","51","7","1359","1361","10.1107/S010827019401214X","","","0.71073","MoKα","","","0.046","","","0.049","","","","","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003652","4.904","0.001","4.904","0.001","26.186","0.01","90","","90","","120","","545.4","0.3","293","2","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co6.3 Nb6.7 -","- Co6.3 Nb6.7 -","- Co18.9 Nb20.1 -","3","0.0833333","DU1106","Wagner, V.; Conrad, M.; Harbrecht, B.","The μ-Phase of Co~6.3~Nb~6.7~","Acta Crystallographica Section C","1995","51","7","1241","1243","10.1107/S0108270195000552","","","0.71069","MoKα","","","0.0286","","0.096","0.081","","","","","1.076","1.076","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003653","7.2169","0.0005","7.2821","0.0006","11.5524","0.0002","82.154","0.01","87.096","0.01","64.494","0.01","542.8","0.08","293","2","293","2","","","","","","","synth\`ese","5","P -1","-P 1","2","","Ortho-phénylènediammonium Dihydrogénodiphosphate","","- C6 H12 N2 O7 P2 -","- C6 H12 N2 O7 P2 -","- C12 H24 N4 O14 P4 -","2","1","DU1108","Soumhi, E. H.; Jouini, T.","<i>o</i>-Phénylènediammonium Dihydrogénodiphosphate","Acta Crystallographica Section C","1995","51","7","1457","1459","10.1107/S0108270195000230","","","0.71069","MoKα","","0.031","0.028","","0.0808","0.0801","","","","2.817","2.925","2.925","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003654","23.512","0.004","23.861","0.004","22.417","0.004","90","","103.16","0.01","90","","12246","4","120","","","","","","","","","","Mn(O~2~CCH~3~)~2~.4H~2~O + C~5~H~5~N + 3,5-(NO~2~)~2~-C~6~H~3~CO~2~H + ^n^Bu~4~MnO~4~ in C~2~H~5~OH; crystals from acetone/ether","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H84 Mn6 N22 O68 -","- C104 H78 Mn6 N22 O67 -","- C416 H312 Mn24 N88 O268 -","4","0.5","FG1000","Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.","[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]","Acta Crystallographica Section C","1995","51","7","1263","1267","10.1107/S0108270194013764","","","0.71069","MoKα","","","0.0685","","","0.0666","","","","","1.415","1.415","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003655","18.441","0.003","24.561","0.004","17.497","0.003","90","","90","","90","","7925","2","103","","","","","","","","","","Ph~4~P[Mn~4~O~2~(O~2~CPh)~9~(OH~2~)] + Na^+^(2-Me~2~N-C~6~H~4~CO~2~^-^) in MeCN at 263 K","5","P b n a","-P 2ac 2b","60","","","","- C78 H62 Mn6 N4 O22 -","- C78 H62 Mn6 N4 O22 -","- C312 H248 Mn24 N16 O88 -","4","0.5","FG1000","Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.","[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]","Acta Crystallographica Section C","1995","51","7","1263","1267","10.1107/S0108270194013764","","","0.71069","MoKα","","","0.075","","","0.064","","","","","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003656","11.968","0.002","7.34","0.001","13.539","0.002","90","","99.77","0.01","90","","1172.1","0.3","195","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O2 S2 -","- C24 H38 O2 S2 -","- C48 H76 O4 S4 -","2","0.5","FG1013","Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M.","3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K","Acta Crystallographica Section C","1995","51","7","1394","1397","10.1107/S0108270195001090","","","1.54184","CuKα","","","0.036","","","0.046","","","","","1.749","1.749","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003657","10.345","0.001","17.316","0.002","15.94","0.002","90","","90","","90","","2855.4","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(5,5-diphenylhydantoinato)diamminezinc(II) Hemihydrate","","- C30 H29 N6 O4.5 Zn -","- C30 H29 N6 O4.5 Zn -","- C120 H116 N24 O18 Zn4 -","4","0.5","FG1044","Roszak, A. W.; Milne, P.; Weaver, D. F.","Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate","Acta Crystallographica Section C","1995","51","7","1297","1300","10.1107/S0108270195000291","","","0.71069","MoKα","","0.0577","0.0423","","0.1373","0.1199","","","","1.092","1.092","1.092","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003658","11.793","0.003","23.267","0.003","12.713","0.001","90","","111.48","0.02","90","","3246","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 As2 Cl Pd -","- C37 H33 As2 Cl Pd -","- C148 H132 As8 Cl4 Pd4 -","4","1","FG1047","Rath, N. P.; Ladipo, F. T.; Anderson, G. K.","<i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II)","Acta Crystallographica Section C","1995","51","7","1289","1290","10.1107/S010827019401485X","","","0.71073","MoKα","","0.0812","0.0365","","0.0807","0.0723","","","","0.815","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003659","7.136","0.001","7.221","0.001","24.405","0.003","90","","90","","90","","1257.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4R,5R)-(-)-3 Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","FG1054","Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N.","(2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","Acta Crystallographica Section C","1995","51","7","1372","1374","10.1107/S010827019500076X","","","0.71069","MoKα","","","0.031","","","0.036","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003660","12.33","0.03","8.26","0.04","14.25","0.03","90","","115","0.5","90","","1315","9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-dimethyl-9-phenyl-1,2H-dihydropurine-6-carboxamide","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C56 H60 N20 O4 -","4","1","HA1128","Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.","A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines","Acta Crystallographica Section C","1995","51","7","1467","1470","10.1107/S0108270194009558","","","0.71069","MoKα","","","0.049","","","0.052","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003661","11.13","0.008","7.999","0.008","15.162","0.008","90","","95.81","0.05","90","","1342.9","1.8","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-dimethyl-9-phenyl-2,3H-dihydropurine-6-carboxamide","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C56 H60 N20 O4 -","4","1","HA1128","Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.","A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines","Acta Crystallographica Section C","1995","51","7","1467","1470","10.1107/S0108270194009558","","","0.71069","MoKα","","","0.066","","","0.078","","","","","2.51","2.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003662","25.166","0.001","8.588","0.001","18.382","0.001","90","","136.53","0.04","90","","2733","2","296","1","","","","","","","","","recrystallization from methanol","3","C 1 2 1","C 2y","5","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","2","HA1136","Baradarani, M. M.; Beddoes, R. L.; Mills, O. S.; Joule, J. A.","A Naphthalene-Fused Tricyclic Orthoamide","Acta Crystallographica Section C","1995","51","7","1345","1347","10.1107/S010827019401471X","","","0.71073","MoKα","","","0.032","","","0.041","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003663","15.988","0.004","5.715","0.001","16.097","0.004","90","","112.88","0.02","90","","1355.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(∓)-threo-2,3-diphenyl-3-hydroxypropanoic acid, methyl ester","","- C16 H16 O3 -","- C16 H15 O3 -","- C64 H60 O12 -","4","1","HA1137","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Methyl Ester","Acta Crystallographica Section C","1995","51","7","1350","1352","10.1107/S0108270194014277","","","0.71073","MoKα","","0.0579","0.0409","","0.1202","0.1079","","","","1.041","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003664","26.6","0.01","12.219","0.002","7.822","0.002","90","","90","","90","","2542.3","1.2","293","2","293","2","","","","","","","chemical synthesis (see Comment)","6","P b c a","-P 2ac 2ab","61","","4-[2-(methylamino)ethyl]-1,2-benzenediol 1-(dihydrogenphospate) hydrochloride","","- C9 H15 Cl N O5 P -","- C9 H15 Cl N O5 P -","- C72 H120 Cl8 N8 O40 P8 -","8","1","HA1141","Ianelli, S.; Nardelli, M.; Doggi, F.; Norcini, G.; Santangelo, F.","Hydrogen-Bonding Stabilization of <i>N</i>-Methyldopamine 4-<i>O</i>-Dihydrogenphosphate in HCl Acidic Solution: Synthesis of Z2055, a New Dopaminergic Prodrug","Acta Crystallographica Section C","1995","51","7","1338","1341","10.1107/S0108270194014721","","","1.54178","CuKα","","0.1368","0.1077","","0.2299","0.2085","","","","1.27","1.325","1.325","","","","","has coordinates","288349","2023-12-15","17:38:15",""
"2003665","10.809","0.002","9.581","0.002","10.986","0.002","90","","109.54","0.01","90","","1072.2","0.4","293","","","","","","","","","","Single crystals were obtained by slow evaporation of an aqueous ethanol solution.","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 O4 -","- C8 H8 N6 O4 -","- C32 H32 N24 O16 -","4","1","HR1036","Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.","1,1'-Dimethyl-4,5'-dinitro-2,2'-biimidazole, C~8~H~8~N~6~O~4~","Acta Crystallographica Section C","1995","51","7","1414","1416","10.1107/S0108270194014915","","","0.71073","MoKα","","","0.0515","","","0.0524","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003666","14.339","0.001","4.804","0.001","20.812","0.002","90","","101.48","0.01","90","","1404.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2`-Benzthiazolyl)-3-Carbomethoxymethyl-2-Thioxo-4-imidazolinone], C~13~H~11~N~3~O~3~S~2~","","- C13 H11 N3 O3 S2 -","- C13 H11 N3 O3 S2 -","- C52 H44 N12 O12 S8 -","4","1","HR1040","Kozísek, J.; Ulický, L.; Floch, L.; Langer, V.","1-(2-Benzothiazolyl)-3-methoxycarbonylmethyl-2-thioxo-4-imidazolidinone, C~13~H~11~N~3~O~3~S~2~","Acta Crystallographica Section C","1995","51","7","1429","1431","10.1107/S0108270195000254","","","0.71069","MoKα","","0.1772","0.0417","","0.1249","0.0905","","","","1.004","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003667","21.395","0.003","13.517","0.001","14.905","0.002","90","","107.75","0.01","90","","4105.3","0.9","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 N4 O5 -","- C19 H28 N4 O5 -","- C152 H224 N32 O40 -","8","1","HR1051","Hundal, G.; Hundal, M. S.; Kumar, S.; Singh, H.; Sanz-Aparicio, J.","2,3-Benzo-11-(2-cyanoethyl)-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione‒Water (1/1)","Acta Crystallographica Section C","1995","51","7","1459","1462","10.1107/S0108270195000424","","","1.5418","CuKα","","","0.049","","","0.058","","","","","0.54","0.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003668","8.537","0.004","13.936","0.002","12.839","0.003","90","","92.92","0.03","90","","1525.5","0.8","140","2","140","2","","","","","","","Aldrich","4","P 1 21/a 1","-P 2yab","14","chloroxylenol","4-chloro-3,5-dimethylphenol","","- C8 H9 Cl O -","- C8 H9 Cl O -","- C64 H72 Cl8 O8 -","8","2","HU1115","Cox, P. J.","Chloroxylenol, C~8~H~9~ClO","Acta Crystallographica Section C","1995","51","7","1361","1364","10.1107/S0108270194012588","","","0.71069","MoKα","","0.0483","0.0407","","0.1001","0.0979","","","","0.99","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003669","5.59","0.002","25.299","0.004","7.31","0.002","90","","90.9","0.02","90","","1033.7","0.5","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-N-4-Fluorophenyl-C-phenylnitrone","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","HU1138","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","(<i>Z</i>)-<i>N</i>-4-Fluorophenyl-<i>C</i>-phenylnitrone. Confirmation that the Exclusive Product of the Reaction Between Benzaldehyde and 4-Fluorophenylhydroxylamine is the <i>Z</i> Isomer","Acta Crystallographica Section C","1995","51","7","1470","1472","10.1107/S0108270194014745","","","0.71069","MoKα","","","0.0561","","","0.0695","","","","","1.478","1.478","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003670","5.556","0.002","15.332","0.004","10.427","0.004","90","","90.47","0.02","90","","888","1","296","","","","","","","","","","synthesized at UMIST","5","P 1 21 1","","","","","","- C21 H17 F N2 O3 -","- C21 H17 F N2 O3 -","- C42 H34 F2 N4 O6 -","2","1","","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","(Z)-2-(4-Fluorophenyl)-3-(3-nitrophenyl)-5-phenylisoxazolidine: the Major Isomer Formed by 1,3-Dipolar Addition of an Arylnitrone to Styrene","Acta Crystallographica Section C","1995","51","7","1434","1435","10.1107/S0108270194014757","","","0.71069","MoKα","","","0.0617","","","0.0701","","","","","1.649","1.649","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003671","5.842","0.001","10.309","0.001","11.062","0.001","66.53","0.01","76.15","0.01","73.03","0.01","578.7","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","N-(4-fluorophenyl)-2,3,4,5-tetrafluoro-6-hydroxybenzamide","","- C13 H6 F5 N O2 -","- C13 H6 F5 N O2 -","- C26 H12 F10 N2 O4 -","2","1","HU1141","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","2,3,4,5-Tetrafluoro-<i>N</i>-(4-fluorophenyl)-6-hydroxybenzamide: an Example of a Combined Inter- and Intramolecular O···H···O Bifurcated Hydrogen Bond","Acta Crystallographica Section C","1995","51","7","1427","1429","10.1107/S0108270194014769","","","0.71069","MoKα","","","0.0528","","","0.053","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003672","6.361","0.001","6.878","0.001","7.801","0.001","90","","108.47","0.01","90","","323.72","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-Dideoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0315","0.031","","0.0885","0.0879","","","","1.071","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003673","4.558","0.001","4.747","0.001","8.15","0.002","76.92","0.02","75.61","0.02","82.17","0.02","165.78","0.07","293","2","293","2","","","","","","","","3","P 1","P 1","1","","2,3-Dideoxy-D-erythro-hex-2-enono-1,4-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C6 H8 O4 -","1","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0463","0.0372","","0.0944","0.0916","","","","0.946","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003674","10.216","0.006","13.236","0.006","15.534","0.007","93.89","0.03","99.92","0.03","102.28","0.03","2009.8","1.8","223","","","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 N3 O P2 Re S2 -","- C45 H38 N3 O P2 Re S2 -","- C90 H76 N6 O2 P4 Re2 S4 -","2","1","JZ1024","Hübener, R.; Abram, U.; Strähle, J.","Isothiocyanato Complexes of Rhenium. V. <i>trans</i>-Bis(isothiocyanato)(methoxy)(phenylimido)bis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1995","51","7","1284","1286","10.1107/S0108270195000564","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.305","1.305","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003675","9.841","0.002","9.841","","9.841","","81.33","0.02","81.33","","81.33","","923.37","0.19","295","","295","","","","","","","","Umsetzung von Urotropiniumiodid UrHI mit iodges\""attigter Acetonitrill\""osung","4","R 3 c :R","P 3* -2n","161","Urotropin-3-Diiod","1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decan-3-Diiod","","- C6 H12 I6 N4 -","- C6 H12 I6 N4 -","- C12 H24 I12 N8 -","2","0.333333","JZ1025","Tebbe, K.-F.; Nagel, K.","Urotropin-3-Diiod, Ur.3I~2~","Acta Crystallographica Section C","1995","51","7","1388","1390","10.1107/S0108270194015003","","","0.71069","MoKα","","0.0295","0.0262","","0.0705","0.069","","","","1.059","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003676","7.735","0.001","8.066","0.001","14.319","0.002","103.94","0.02","98.2","0.02","107.83","0.02","802.5","0.2","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","JZ1027","Krieger, C.; Peraus, G.; Neugebauer, F. A.","Pair Stacking of 10-(4-Nitrophenyl)-5(10<i>H</i>)-phenazinyl Radicals","Acta Crystallographica Section C","1995","51","7","1420","1423","10.1107/S0108270195000941","","","0.71073","MoKα","","","0.033","","","0.035","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003677","15.685","0.007","25.364","0.009","7.579","0.004","90","","90","","90","","3015","2","143","","","","","","","","","","Ethanol","3","P c c n","-P 2ab 2ac","","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","KA1025","Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A.","Ethyl Pentaspiro[2.0.2.0.0.2.0.2.0.1]tetradeca-14-ylideneacetate, C~18~H~22~O~2~","Acta Crystallographica Section C","1995","51","7","1325","1327","10.1107/S0108270194013971","","","0.71073","MoKα","","","0.063","","","0.06","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003678","8.919","0.004","14.128","0.003","14.079","0.006","90","","104.58","0.05","90","","1716.9","1.2","243","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 F12 N6 O12 S4 -","- C16 H32 F12 N6 O12 S4 -","- C32 H64 F24 N12 O24 S8 -","2","0.5","KA1089","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","(H~4~-Hexaaza-18-crown-6)^4+^.4CF~3~SO~3~^{-^} and its Hydrated Form","Acta Crystallographica Section C","1995","51","7","1407","1411","10.1107/S0108270194014241","","","0.71073","MoKα","","","0.058","","","0.06","","","","","2.09","2.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003679","8.984","0.005","31.147","0.012","13.357","0.003","90","","106.98","0.06","90","","3575","3","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 F12 N6 O13 S4 -","- C16 H32 F12 N6 O13 S4 -","- C64 H128 F48 N24 O52 S16 -","4","1","KA1089","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","(H~4~-Hexaaza-18-crown-6)^4+^.4CF~3~SO~3~^{-^} and its Hydrated Form","Acta Crystallographica Section C","1995","51","7","1407","1411","10.1107/S0108270194014241","","","0.71073","MoKα","","","0.074","","","0.077","","","","","4.48","4.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003680","5.976","0.001","13.146","0.001","25.883","0.003","90","","93.84","0.01","90","","2028.8","0.4","213","1","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 S -","- C24 H30 O2 S -","- C96 H120 O8 S4 -","4","1","KA1094","Kraus, G. A.; Su, Q.; Young, Jnr, V. G.","Construction of the Tetracyclic Skeleton of Leucothol A. 1,2,4a,5,6,7,8,9,10,10a,11,11a-Dodecahydro-11-hydroxy-11-methyl-7-phenylthiomethyl-5a<i>H</i>-5a,8-methanocyclohepta[<i>b</i>]naphthalen-10-one","Acta Crystallographica Section C","1995","51","7","1366","1368","10.1107/S0108270194014071","","","1.54178","CuKα","","0.046","0.0399","","0.1","0.0957","","","","1.044","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003681","19.158","0.003","19.029","0.003","6.377","0.002","90","","90","","90","","2324.8","0.9","296","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","","0.088","","","0.062","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003682","19.058","0.002","19.209","0.002","6.275","0.001","90","","90","","90","","2297.2","0.5","298","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","0.0831","0.0513","","0.052","0.0456","","","","","4.581","4.581","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003683","7.937","0.004","11.249","0.006","15.144","0.006","99.59","0.04","98","0.04","110.59","0.04","1219.1","1.1","295","2","295","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C28 H16 Cu N8 O S -","- C28 H16 Cu N8 O S -","- C56 H32 Cu2 N16 O2 S2 -","2","1","KA1099","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide","Acta Crystallographica Section C","1995","51","7","1291","1293","10.1107/S0108270195001946","","","0.71073","MoKα","","0.1041","0.0506","","0.1318","0.1112","","","","1.024","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003684","8.082","0.002","3.954","0.001","16.103","0.003","90","","98.54","0.03","90","","508.9","0.2","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","KA1101","Janczak, J.","2-Aminoanthraquinone","Acta Crystallographica Section C","1995","51","7","1381","1382","10.1107/S0108270194014885","","","1.54184","CuKα","","","0.0616","","","0.0563","","","","","0.55","0.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003685","14.662","0.003","5.419","0.001","21.475","0.004","90","","101.66","0.03","90","","1671.1","0.6","289","2","289","2","","","","","","","grown from ethanol","4","P 1 21 1","P 2yb","4","","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","","- C15 H19 N3 O7 -","- C15 H19 N3 O7 -","- C60 H76 N12 O28 -","4","2","","Van Meervelt, Luc; Kong Thoo Lin, Paul; Brown, Daniel M.","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","Acta Crystallographica Section C","1995","51","7","1347","1350","10.1107/S0108270195000096","","","1.54184","CuKα","","0.1235","0.0692","","0.1726","0.1468","","","","1.073","1.313","1.313","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2003686","17.589","0.003","10.164","0.001","16.807","0.004","90","","84.16","0.01","90","","2989.1","0.9","213","2","213","2","","","","","","","[ReNCl~2~(Me~2~PhP)~3~] + HOSO~2~CF~3~","9","P 1 21/c 1","-P 2ybc","14","","chlorotris(dimethylphenylphosphine)nitrido(trifluoromethanesulfonato)rhenium(V)","","- C25 H33 Cl F3 N O3 P3 Re S -","- C25 H33 Cl F3 N O3 P3 Re S -","- C100 H132 Cl4 F12 N4 O12 P12 Re4 S4 -","4","1","KA1103","Abram, U.; Walker, I.","<i>mer</i>,<i>cis</i>-Chlorotris(dimethylphenylphosphine)nitrido(trifluoromethylsulfonato)rhenium(V)","Acta Crystallographica Section C","1995","51","7","1250","1251","10.1107/S0108270195000692","","","0.7093","MoKα","","0.0829","0.0513","","0.1469","0.1201","","","","1.097","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003687","12.584","0.003","3.894","0.001","6.955","0.001","90","","90","","90","","340.81","0.13","295","","","","","","","","","","see text","3","P m n 21","P 2ac -2","31","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C16 H8 N4 -","2","0.5","KA1110","Janczak, J.; Kubiak, R.","1,2-Dicyanobenzene. A Precursor of Phthalocyanines","Acta Crystallographica Section C","1995","51","7","1399","1401","10.1107/S0108270195001387","","","0.71073","MoKα","","","0.0501","","","0.0614","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003688","14.788","0.004","7.47","0.002","24.188","0.004","90","","90","","90","","2672","1.1","293","2","293","2","","","","","","","recrystallized from benzene at room temperature","3","P b c a","-P 2ac 2ab","61","α-naphthoflavone","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","1","KA1111","Panneerselvam, K.; Soriano-García, M.","α-Naphthoflavone","Acta Crystallographica Section C","1995","51","7","1418","1420","10.1107/S0108270195000680","","","1.54178","CuKα","","0.05","0.0399","","0.1034","0.096","","","","1.112","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003689","15.347","0.007","17.493","0.005","15.0003","0.0008","102.8","0.03","116.77","0.03","79.94","0.03","3493","2","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H130 Cl4 Co6 O P8 S8 -","- C148 H114 Cl6 Co6 O2 P10 S8 -","- C148 H114 Cl6 Co6 O2 P10 S8 -","1","0.5","KH1003","Jiang, F.; Huang, X.; Cao, R.; Hong, M.; Liu, H.","A Hexacobalt Sulfide Cluster Compound, [Co~6~(μ-S)~8~(PPh~3~)~6~].2PPh~3~.2C~2~H~4~Cl~2~.H~2~O","Acta Crystallographica Section C","1995","51","7","1275","1278","10.1107/S0108270194014873","","","0.71073","MoKα","","","0.058","","","0.069","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003690","14.611","0.002","5.423","0.006","12.191","0.002","90","","96.89","0.01","90","","959","1.1","297","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","KH1007","Suh, M. C.; Kim, S. N.; Lee, H. J.; Shim, S. C.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.","6-(2-Pyridyl)-3,5-hexadiyn-1-ol","Acta Crystallographica Section C","1995","51","7","1416","1418","10.1107/S0108270195001089","","","0.71073","MoKα","","","0.0664","","","0.0633","","","","","2.713","2.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003691","6.4574","0.0012","11.1198","0.0024","6.2652","0.0011","90","","114.382","0.014","90","","409.75","0.14","291","2","","","","","","","","","Furneaux, Mason & Miller (1984), compound (9)","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O4 -","- C10 H8 O4 -","- C20 H16 O8 -","2","0.5","KH1010","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.","Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione","Acta Crystallographica Section C","1995","51","7","1369","1372","10.1107/S0108270195000242","","","0.71073","MoKα","","","0.041","","","0.1","","","","","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003692","5.154","0.002","12.257","0.008","16.034","0.008","90","","90","","90","","1012.9","0.9","291","2","","","","","","","","","Furneaux, Mason & Miller (1984), compound (17)","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","KH1010","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.","Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione","Acta Crystallographica Section C","1995","51","7","1369","1372","10.1107/S0108270195000242","","","0.71069","MoKα","","","0.0461","","","0.0621","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003693","11.8054","0.001","5.0922","0.001","20.0693","0.0013","90","","90","","90","","1206.5","0.3","293","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 Se -","- C14 H9 N O2 Se -","- C56 H36 N4 O8 Se4 -","4","1","KH1013","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","3-Phenyl-1,3(4<i>H</i>)-benzoselenazine-2,4(3<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","7","1333","1335","10.1107/S0108270194014563","","","1.5418","CuKα","","","0.0333","","","0.0894","","","","","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003694","8.651","0.002","11.534","0.003","8.878","0.003","90","","93.6","0.02","90","","884.1","0.4","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Oxybispyridine","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.057","","","0.075","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003695","12.37","0.001","5.977","0.001","13.909","0.001","90","","113.1","0.01","90","","945.9","0.2","291","1","291","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C40 H32 N8 Se4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.041","","","0.056","","","","","3.71","3.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003696","8.531","0.002","9.406","0.001","9.759","0.002","75.92","0.01","78.44","0.02","68.71","0.01","702.3","0.2","293","","299","","","","","","","","","4","P -1","-P 1","2","","1,3,4,10b-tetrahydro-4-phenylpyrido[2,1-a]isoindole-2,6-dione","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","KH1018","Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.","1,3,4,10b-Tetrahydro-4-phenylpyrido[2,1-<i>a</i>]isoindole-2,6-dione","Acta Crystallographica Section C","1995","51","7","1438","1440","10.1107/S0108270195001132","","","1.5418","CuKα","","0.056","0.047","","0.072","0.069","","","","1.674","1.789","1.789","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003697","6.926","0.001","15.054","0.003","14.471","0.002","90","","99.94","0.01","90","","1486.2","0.4","293","2","293","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","N-3-methoxyphenyl-2-(5-methoxyindole)carboxamide","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","LI1132","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","Conformation at the Amide N Atom of 1-Carboxamide Indole Derivatives","Acta Crystallographica Section C","1995","51","7","1341","1345","10.1107/S0108270195000837","","","1.54056","CuKα~1~","","0.0651","0.0375","","0.1096","0.0923","","","","0.921","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003698","11.311","0.008","10.22","0.007","6.586","0.001","79.59","0.02","79.2","0.04","78.86","0.03","725.5","0.7","293","2","293","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","N-methyl-N-phenyl-2-(5-methoxyindole)carboxamide","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","LI1132","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","Conformation at the Amide N Atom of 1-Carboxamide Indole Derivatives","Acta Crystallographica Section C","1995","51","7","1341","1345","10.1107/S0108270195000837","","","0.71069","MoKα","","0.0964","0.0374","","0.0672","0.0594","","","","0.767","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003699","7.611","0.002","11.808","0.002","12.609","0.002","103.86","0.01","103.12","0.01","103.48","0.01","1020.7","0.4","294","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl Mn N2 O10 -","- C17 H18 Cl Mn N2 O10 -","- C34 H36 Cl2 Mn2 N4 O20 -","2","1","MU1128","Tan, X.-S.; Chen, J.; Zheng, P.-J.; Tang, W.-X.","<i>trans</i>-Diaqua(bipyridyl)(salicylato)manganese(III) Perchlorate Monohydrate","Acta Crystallographica Section C","1995","51","7","1268","1269","10.1107/S0108270195000539","","","0.71073","MoKα","","","0.044","","","0.048","","","","","1.094","1.094","","","","","has coordinates","199741","2020-10-21","18:00:00",""
"2003700","10.235","0.005","10.249","0.008","11.81","0.003","86.88","0.04","80.46","0.03","66.59","0.06","1121.1","1.2","218","","","","","","","","","","evaporation from water","5","P -1","-P 1","2","","","","- C15 H37 Ge Na O8 -","- C15 H37 Ge Na O8 -","- C30 H74 Ge2 Na2 O16 -","2","1","MU1145","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Sodium Bis(2,3-dimethylbutane-2,3-diolato)hydroxogermanate(IV)‒Methanol (1/3)","Acta Crystallographica Section C","1995","51","7","1258","1260","10.1107/S0108270194013934","","","0.71073","MoKα","","","0.032","","","0.039","","","","","2.59","2.59","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003701","11.119","0.006","16.062","0.003","12.027","0.004","90","","100.72","0.03","90","","2110.5","1.4","296","","","","","","","","","","Crystals were obtained by slow evaporation at room temperature of solutions in 50% ethanol","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Al N6 O6 -","- C18 H15 Al N6 O6 -","- C72 H60 Al4 N24 O24 -","4","1","MU1149","Okabe, N.; Tamaki, K.; Suga, T.; Kohyama, Y.","Aluminium Cupferronate, [Al(C~6~H~5~N~2~O~2~)~3~]","Acta Crystallographica Section C","1995","51","7","1295","1297","10.1107/S0108270195000102","","","0.71069","MoKα","","","0.076","","","0.067","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003702","14.985","0.006","17.375","0.006","16.437","0.006","90","","92.23","0.04","90","","4276","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 In K N6 O5 S4 -","- C34 H48 In K N6 O5 S4 -","- C136 H192 In4 K4 N24 O20 S16 -","4","1","MU1159","Carmalt, C. J.; Clegg, W.; Elsegood, M. R. J.; Kneisel, B. O.; Norman, N. C.","Two Anionic Indium(III)‒Thiocyanate Complexes with Potassium-Centred Complex Cations","Acta Crystallographica Section C","1995","51","7","1254","1258","10.1107/S0108270195000527","","","0.71073","MoKα","","0.0692","0.0472","","0.1313","0.1089","","","","1.067","1.048","1.048","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003703","8.941","0.002","9.682","0.002","13.113","0.003","87.25","0.03","72.33","0.02","89.05","0.02","1080.3","0.4","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 In K N8 O6 S4 -","- C36 H44 In K N8 O6 S4 -","- C36 H44 In K N8 O6 S4 -","1","0.5","MU1159","Carmalt, C. J.; Clegg, W.; Elsegood, M. R. J.; Kneisel, B. O.; Norman, N. C.","Two Anionic Indium(III)‒Thiocyanate Complexes with Potassium-Centred Complex Cations","Acta Crystallographica Section C","1995","51","7","1254","1258","10.1107/S0108270195000527","","","0.71073","MoKα","","0.0285","0.0207","","0.0674","0.0508","","","","1.06","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003704","11.069","0.002","14.426","0.003","16.561","0.004","81.64","0.02","105.19","0.02","94.05","0.02","2523.5","1","293","2","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C59 H51 O4 P4 Rh -","- C59 H51 O4 P4 Rh -","- C118 H102 O8 P8 Rh2 -","2","1","MU1160","Smit, D. M. C.; Basson, S. S.; Roodt, A.; Steynberg, E. C.","Carbonyl-κ<i>C</i>-[tris(diphenylphosphinoyl)methanido-κ^2^<i>O</i>,<i>O</i>'][tris(<i>o</i>-tolyl)phosphine-κ<i>P</i>]rhodium(I), [Rh(C{P(O)Ph~2~}~3~)(CO){P(<i>o</i>-Tol)~3~}]","Acta Crystallographica Section C","1995","51","7","1278","1280","10.1107/S0108270195000515","","","1.5418","CuKα","","0.0359","0.0359","","0.0973","0.0973","","","","1.044","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003705","9.083","0.006","31.918","0.002","8.594","0.003","90","","93.1","0.2","90","","2487.9","1.9","293","","","","","","","","","","crystallization from the original solution","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cu9 N24 Se6 -","- C24 H48 Cu9 N24 Se6 -","- C48 H96 Cu18 N48 Se12 -","2","0.5","NA1103","Vrábel, V.; Kellö, E.; Garaj, J.; Lokaj, J.","Tris[bis(ethylenediamine)copper(II)] Poly[hexakis(μ-cyano)hexakis(μ-selenocyanato)hexacopper(I)], [Cu^II^en~2~]~3~[Cu^I^~6~(CN)~6~(SeCN)~6~]","Acta Crystallographica Section C","1995","51","7","1286","1288","10.1107/S0108270194014976","","","1.54178","CuKα","","","0.03","","","0.034","","","","","0.94","0.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003706","5.333","0.0004","5.633","0.0006","21.203","0.003","90","","90","","90","","636.95","0.12","293","","293","","","","","","","","Norwich Eaton Pharmaceuticals, Inc. (Norwich, New York)","4","P 21 21 21","P 2ac 2ab","19","","5-nitro-2-aldoxime","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C20 H16 N8 O16 -","4","1","NA1116","Olszak, T. A.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1304","1306","10.1107/S0108270194008425","","","0.71069","MoKα","","0.0371","0.0255","","0.0719","0.0685","","","","1.035","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003707","6.504","0.002","13.121","0.002","22.192","0.002","90","","92.37","0.02","90","","1892.2","0.7","295","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-3-etoxycarbonyl- 2-methyl-pyrrole","","- C20 H16 Cl3 N O2 -","- C20 H16 Cl3 N O2 -","- C80 H64 Cl12 N4 O8 -","4","1","NA1117","Bachechi, F.; Gavuzzo, E.; Cerreto, F.; Scalzo, M.","A 1,5-Diarylpyrrole Derivative","Acta Crystallographica Section C","1995","51","7","1431","1434","10.1107/S0108270195000734","","","1.54178","CuKα","","","0.048","","","0.064","","","","","2.36","2.36","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003708","8.653","0.001","11.418","0.005","18.018","0.002","90","","90","","90","","1780.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aRS,9aSR,9bSR)-Octahydro-1H-furo[3',4':4,5]isoxazolo[2,3-a] pyridin-1-one.","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0702","0.0378","","0.1182","0.0968","","","","1.075","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003709","6.765","0.003","8.93","0.002","16.166","0.005","90","","90","","90","","976.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aRS,10aRS,10bRS)-Octahydro-1H,3H-pyrano[3',4':4,5]isoxazolo[2,3-a]pyridin- 1-one.","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0373","0.0281","","0.0779","0.0719","","","","1.088","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003710","6.0456","0.0007","16.735","0.003","10.786","0.002","90","","98.84","0.01","90","","1078.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5aRS,11aRS,11bRS)-Decahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0538","0.0367","","0.1005","0.0879","","","","1.089","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003711","6.755","0.005","7.068","0.007","40.62","0.05","90","","90","","90","","1939","3","288","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 S -","- C19 H30 O5 S -","- C76 H120 O20 S4 -","4","1","NA1130","Adams, H.; Bailey, N. A.; Jones, D. N.; Aversa, M. C.; Bonaccorsi, P.; Giannetto, P.","An Enantiopure Isobornylsulfinylcyclohexene Derivative, C~19~H~30~O~5~S","Acta Crystallographica Section C","1995","51","7","1357","1359","10.1107/S0108270195000746","","","0.71073","MoKα","","","0.0766","","","0.0773","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003712","3.851","0.001","15.077","0.002","9.99","0.002","90","","95.2","0.1","90","","577.6","0.2","295","2","","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Br2 Cl2 Cu N4 -","- C6 H6 Br2 Cl2 Cu N4 -","- C12 H12 Br4 Cl4 Cu2 N8 -","2","0.5","NA1136","Valle, G.; Ettorre, R.; Peruzzo, V.","Bis(4-bromopyrazole)dichlorocopper(II)","Acta Crystallographica Section C","1995","51","7","1293","1295","10.1107/S0108270195000163","","","0.71073","MoKα","","","0.048","","","0.048","","","","","0.71","0.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003713","9.973","0.001","17.101","0.002","25.496","0.003","90","","90","","90","","4348.3","0.8","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","P c a b","-P 2bc 2ac","61","","4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)- 1-methylpiperidinium hydrogen malate","","- C23 H27 N O5 S -","- C27 H32 N O10 S -","- C216 H256 N8 O80 S8 -","8","1","NA1139","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","4-(9,10-Dihydro-4<i>H</i>-benzo[4,5]cyclohepta[1,2-<i>b</i>]thien-4-ylidene)-1-methylpiperidinium Hydrogen Malate","Acta Crystallographica Section C","1995","51","7","1435","1438","10.1107/S0108270194015088","","","1.54184","CuKα","","0.1952","0.0561","","0.1411","0.0909","","","","1.136","1.415","1.415","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003714","30.328","0.003","15.279","0.002","12.499","0.004","90","","90","","90","","5792","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-butyl-2-methyl-3-[[3-(methoxycarbonyl)thien-2-yl]methyl]- -5-[[2'-(1H-tetrazol-5-yl)]][1,1'-biphenyl)-4-yl]methyl]pyrimidin-4(3H)-one","","- C30 H30 N6 O3 S -","- C30 H30 N6 O3 S -","- C240 H240 N48 O24 S8 -","8","1","NA1145","Destro, R.; Soave, R.","A New Non-Peptide Angiotensin II Receptor Antagonist","Acta Crystallographica Section C","1995","51","7","1383","1385","10.1107/S0108270195000722","","","0.71073","MoKα","","0.2153","0.0777","","0.153","0.1281","","","","0.903","1.279","1.279","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003715","12.044","0.007","12.461","0.007","13.73","0.008","104.33","0.03","94.47","0.03","101","0.03","1943","2","293","","293","","","","","","","","synth\`ese","5","P -1","-P 1","2","","1,7-diéthoxycarbonyl-3a-méthyl-4a-phényl- 3,5-diparanitrophényl-3a,4,4a,5-tétrahydro-3H-bis[1,2,4] triazolo[4,3-a:3',4'-d][1,5]benzodiazépine","","- C37 H33 Cl3 N8 O8 -","- C37 H33 Cl3 N8 O8 -","- C74 H66 Cl6 N16 O16 -","2","1","PA1151","Chiaroni, A.; Riche, C.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Lavergne, J.-P.","1,7-Bis(éthoxycarbonyl)-3a-méthyl-4a-phényl-3,5-bis(<i>p</i>-nitrophényl)-3a,4,4a,5-tétrahydro-3<i>H</i>-bis-[1,2,4]triazolo[4,3-<i>a</i>:3',4'-<i>d</i>][1,5]benzodiazépine, C~36~H~32~N~8~O~8~.CHCl~3~","Acta Crystallographica Section C","1995","51","7","1352","1355","10.1107/S0108270194014113","","","0.7107","MoKα","","","0.088","","","0.111","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003716","9.891","0.002","6.492","0.001","14.84","0.002","90","","90","","90","","952.9","0.3","293","","","","","","","","","","produit Aldrich, recristallis\'e en refroidissant \`a 253 K","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N3 O2 -","- C3 H5 N3 O2 -","- C24 H40 N24 O16 -","8","1","PA1153","Tenon, J. A.; Carles, M.; Aycard, J.-P.","4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole)","Acta Crystallographica Section C","1995","51","7","1440","1442","10.1107/S0108270195000199","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003717","7.244","0.005","14.863","0.008","27.308","0.012","90","","90","","90","","2940","3","293","","293","","","","","","","","from chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-6-methoxy-3-propylsulfonyl-2-(2,2,2',2'-tetramethyl-[4,4'] bi{[1,3]dioxolanyl}-5-yl)-1-aza-bicyclo[3.2.0]heptane-7-one","","- C27 H39 N O8 S -","- C30 H46 N O8 S -","- C120 H184 N4 O32 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.068","","","0.093","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003718","10.136","0.006","10.136","0.006","25.026","0.012","90","","90","","90","","2571","2","293","","293","","","","","","","","from chemical synthesis","5","P 41","P 4w","76","","3-ethylsulfuryl-4-furan-2-yl-methyl-6-methoxy-2- (2,2,2',2'-tetramethyl-[4,4']bi[[1,3] dioxolanyl]-5-yl) -1-aza-bicyclo[3.2.0] heptane-7-one","","- C24 H35 N O7 S -","- C26 H40 N O7 S -","- C104 H160 N4 O28 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.048","","","0.052","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003719","7.304","0.001","15.437","0.003","10.65","0.004","90","","109.47","0.01","90","","1132.1","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carnidazole","O-Methyl[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]thiocarbamate","","- C8 H12 N4 O3 S -","- C8 H12 N4 O3 S -","- C32 H48 N16 O12 S4 -","4","1","PA1156","Bernardinelli, G.; Berclaz, T.; Geoffroy, M.; Rajalakshmi, N.","Anhydrous Form of Carnidazole, C~8~H~12~N~4~O~3~S","Acta Crystallographica Section C","1995","51","7","1390","1392","10.1107/S0108270195000217","","","0.7093","MoKα","","0.138","0.067","","0.056","0.032","","","","3.06","2","2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003720","9.8098","0.0005","16.5788","0.001","19.1759","0.0008","90","","90","","90","","3118.7","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","3","P c a b","-P 2bc 2ac","61","","11-(4-methylpiperazin-1-yl)-5H-pyrido[4,3-b][1,5]benzodiazepine","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","1","PA1158","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","11-(4-Methylpiperazin-1-yl)-5<i>H</i>-pyrido[4,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1995","51","7","1379","1381","10.1107/S0108270194014459","","","1.5418","CuKα","","0.0534","0.037","","0.1154","0.1027","","","","1.095","1.224","1.224","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003721","15.749","0.004","14.283","0.006","19.01","0.005","90","","90.35","0.02","90","","4276","2","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 F6 O21 S2 U -","- C30 H40 F6 O21 S2 U -","- C120 H160 F24 O84 S8 U4 -","4","1","PA1160","Thuéry, P.; Nierlich, M.; Keller, N.; Lance, M.; Vigner, J.-D.","A Complex Between Uranyl Trifluoromethanesulfonate Hydrate and Benzo-15-crown-5","Acta Crystallographica Section C","1995","51","7","1300","1302","10.1107/S0108270195000138","","","0.71073","MoKα","","","0.04","","","0.05","","","","","2.02","2.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003722","4.842","0.002","16.848","0.004","13.489","0.003","90","","90.56","0.02","90","","1100.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methyl 3,5-nitro-trans-cinnamate","","","- C10 H8 N2 O6 -","- C10 H8 N2 O6 -","- C40 H32 N8 O24 -","4","1","SE1059","Sharma, C. V. K.; Panneerselvam, K.; Desiraju, G. R.; Pilati, T.","Methyl 3,5-Dinitro-<i>trans</i>-cinnamate","Acta Crystallographica Section C","1995","51","7","1364","1366","10.1107/S010827019500237X","","","0.71069","MoKα","","0.0938","0.0476","","0.1295","0.1175","","","","0.998","1.228","1.228","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003723","5.743","0.001","13.036","0.002","8.431","0.003","90","","103.66","0.02","90","","613.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DL-Glutamic acid","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C20 H36 N4 O16 -","4","1","SE1069","Dunitz, J. D.; Schweizer, W. B.","Anhydrous <small>DL</small>-Glutamic Acid","Acta Crystallographica Section C","1995","51","7","1377","1379","10.1107/S0108270195001648","","","0.71069","MoKα","","0.1022","0.038","","0.1563","0.1132","","","","1.22","1.195","1.195","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003724","43.851","0.008","9.588","0.001","8.788","0.002","90","","90","","90","","3694.9","1.1","299","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","sodium cyclododecanephosphonic acid monoethylester trihydrate","","- C14 H34 Na O6 P -","- C14 H34 Na O6 P -","- C112 H272 Na8 O48 P8 -","8","1","SE1077","Rudert, R.; Czichocki, G.; Weiland, B.; Vollhardt, D.","Sodium Cyclododecylphosphonic Acid Monoethyl Ester Trihydrate","Acta Crystallographica Section C","1995","51","7","1252","1254","10.1107/S0108270195000412","","","1.54184","CuKα","","","0.06","","","0.069","","","","","2.518","2.518","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003725","18.959","0.003","13.339","0.003","19.684","0.002","90","","90","","90","","4978","1.5","297","","","","","","","","","","Acetone","3","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C256 H160 O48 -","16","2","TA1003","Yoon, M.; Kim, Y. H.; Cho, D. W.; Suh, I.-H.; Lee, J.-H.; Ryu, B.-Y.; Park, J.-R.","2,3-Diphenylmaleic Anhydride, an Analogue of <i>cis</i>-Stilbene","Acta Crystallographica Section C","1995","51","7","1374","1377","10.1107/S0108270194013892","","","0.71069","MoKα","","","0.0657","","","0.0657","","","","","3.0897","3.0897","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003726","7.572","0.001","13.25","0.002","17.376","0.002","90","","90","","90","","1743.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","VJ1011","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Sarma, B. V. N. B. S.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). III. 3,3-Ethylenedioxy-5(10),9(11)-estradien-17-one","Acta Crystallographica Section C","1995","51","7","1327","1330","10.1107/S010827019401468X","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003727","5.083","0.002","15.551","0.006","13.647","0.005","90","","98.94","0.03","90","","1065.6","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","AB1059","Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M.","Two Cyanacrylamides","Acta Crystallographica Section C","1995","51","8","1575","1577","10.1107/S0108270194000442","","","1.5406","CuKα","","","0.045","","","0.057","","","","","3.16","3.16","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003728","9.876","0.003","10.325","0.004","3.87","0.008","93.86","0.02","97.61","0.02","103.52","0.03","378.3","0.8","293","","","","","","","","","","Recrystallized from ethanol","4","P -1","-P 1","2","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C16 H12 N4 O4 -","2","1","AB1059","Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M.","Two Cyanacrylamides","Acta Crystallographica Section C","1995","51","8","1575","1577","10.1107/S0108270194000442","","","1.5406","CuKα","","","0.064","","","0.067","","","","","1.19","1.19","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003729","7.08","0.002","14.245","0.001","12.072","0.003","90","","95.86","0.02","90","","1211.2","0.5","294","","","","","","","","","","recrystallization from methanol","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl N4 O -","- C13 H9 Cl N4 O -","- C52 H36 Cl4 N16 O4 -","4","1","AB1133","Wang, X.; Wang, W.; Liu, H.-X.; Tan, M.-Y.; Li, M.","A Derivative of 1,3,4-Oxadiazole","Acta Crystallographica Section C","1995","51","8","1585","1587","10.1107/S010827019400510X","","","1.5418","CuKα","","","0.052","","","0.068","","","","","1.88","1.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003730","14.3658","0.0012","11.0537","0.0006","19.3767","0.0007","90","","128.707","0.005","90","","2401.1","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[C,O-(2-acetylbicyclohept[2.2.1]-3-yl)palladium(II)(2,2'-bipyridyl)] trifluoromethanesulfonate 0.5 diethylether solvate","","- C44 H52 F6 N4 O9 Pd2 S2 -","- C22 H26 F3 N2 O4.5 Pd S -","- C88 H104 F12 N8 O18 Pd4 S4 -","4","1","AB1183","Spek, A. L.; Markies, B. A.; Kruis, D.; Boersma, J.; van Koten, G.","(2-Acetylbicyclo[2.2.1]heptyl-<i>C</i>^3^,<i>O</i>)(2,2'-bipyridyl)palladium(II) Trifluoromethanesulfonate 0.5-Diethyl Ether Solvate","Acta Crystallographica Section C","1995","51","8","1535","1537","10.1107/S0108270194004245","","","0.71073","MoKα","","","0.037","","","0.043","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003731","8.14","0.002","9.672","0.003","27.079","0.004","90","","94.26","0.02","90","","2126","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 N2 O14 Zn2 -","- C15 H14 N2 O14 Zn2 -","- C60 H56 N8 O56 Zn8 -","4","1","AB1187","Hernandez-Padilla, M.; Dominguez, S.; Mederos, A.; Arrieta, J. M.","Tetraaqua(3,4-toluenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)dizinc(II)‒Water (1/2)","Acta Crystallographica Section C","1995","51","8","1549","1552","10.1107/S0108270195000758","","","0.71069","MoKα","","","0.0526","","","0.0571","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003732","9.776","0.002","10.74","0.002","15.135","0.003","71.69","0.02","87.93","0.02","63.48","0.02","1339.7","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br4 Cd N4 O4 -","- C22 H18 Br4 Cd N4 O4 -","- C44 H36 Br8 Cd2 N8 O8 -","2","1","AB1188","Ravikumar, K.; Venkata Lakshmi, N.; Swamy, G. Y. S. K.; Chandra Mohan, K.","Water-Bridged Molecular Adduct of Tetrabromocadmate(II) with Protonated Dafone (4,5-Diazafluoren-9-one), (C~11~H~7~N~2~O)~2~[CdBr~4~].2H~2~O","Acta Crystallographica Section C","1995","51","8","1556","1558","10.1107/S0108270194013867","","","0.71073","MoKα","","","0.034","","","0.039","","","","","0.913","0.913","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003733","8.234","0.004","7.678","0.005","15.345","0.008","90","","99.94","0.04","90","","955.6","0.9","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-1-phenyl-4-nitroimidazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","AB1197","Kowalski, A.","2-Methyl-4-nitro-1-phenylimidazole and 2-Methyl-1-(<i>p</i>-methylphenyl)-4-nitroimidazole","Acta Crystallographica Section C","1995","51","8","1670","1672","10.1107/S0108270195001831","","","1.54178","CuKα","","0.0567","0.0364","","0.1214","0.1021","","","","1.069","1.188","1.188","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003734","8.259","0.002","7.805","0.002","16.774","0.003","90","","103.58","0.03","90","","1051","0.4","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-1-(p-methylphenyl)-4-nitroimidazole","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","AB1197","Kowalski, A.","2-Methyl-4-nitro-1-phenylimidazole and 2-Methyl-1-(<i>p</i>-methylphenyl)-4-nitroimidazole","Acta Crystallographica Section C","1995","51","8","1670","1672","10.1107/S0108270195001831","","","1.54178","CuKα","","0.1029","0.0466","","0.164","0.1369","","","","1.042","1.266","1.266","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003735","12.328","0.004","8.596","0.004","13.294","0.005","90","","97.21","0.03","90","","1397.6","1","295","","","","","","","","","","see text","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 N2 O8 S U -","- C9 N2 O8 S U -","- C36 N8 O32 S4 U4 -","4","1","AB1210","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(μ-sulfato)dioxouranium(VI)","Acta Crystallographica Section C","1995","51","8","1526","1529","10.1107/S0108270194014411","","","0.71073","MoKα","","","0.035","","","0.043","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003736","5.2983","0.0006","9.2529","0.0008","11.261","0.002","90","","101.85","0.014","90","","540.3","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","disilver-cis-butene-dicarboxylate","","- C4 H2 Ag2 O4 -","- C4 H2 Ag2 O4 -","- C16 H8 Ag8 O16 -","4","1","AB1232","Eriksson, L.; Kritikos, M.","Disilver <i>cis</i>-Butenedioate","Acta Crystallographica Section C","1995","51","8","1508","1510","10.1107/S0108270195000606","","","0.7106","MoKα","","0.0395","0.0234","","0.0543","0.0493","","","","1.055","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003737","10.471","0.005","16.433","0.005","11.426","0.004","90","","92.67","0.03","90","","1963.9","1.3","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 Si Zr -","- C20 H26 Cl2 Si Zr -","- C80 H104 Cl8 Si4 Zr4 -","4","1","AB1236","Luttikhedde, H. J. G.; Leino, R. P.; Näsman, J. H.; Ahlgrén, M.; Pakkanen, T.","Racemic Dichloro{(<i>R</i>,<i>R</i>)-3,3'-(dimethylsilanediyl)bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-1-indenyl]}zirconium","Acta Crystallographica Section C","1995","51","8","1488","1490","10.1107/S0108270195000266","","","0.71073","MoKα","","","0.047","","","0.05","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003738","9.539","0.002","9.684","0.001","10.218","0.001","90","","106.26","0.01","90","","906.1","0.2","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N8 Ni2 S4 -","- C8 H12 N8 Ni2 S4 -","- C16 H24 N16 Ni4 S8 -","2","0.5","AB1237","Zhu, Y.; Lu, S.; Huang, X.; Wu, Q.; Yu, R.; Huang, J.","A Novel Nickel-Containing Chain-Like Polymer: [{Ni(NH~3~)~4~}Ni{S~2~C= C(CN)~2~}~2~]~{∞~}","Acta Crystallographica Section C","1995","51","8","1515","1517","10.1107/S010827019500182X","","","0.71073","MoKα","","","0.043","","","0.053","","","","","1.28","1.28","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003739","5.502","0.005","7.036","0.007","27.688","0.024","90","","93.57","0.07","90","","1069.8","1.7","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Z-ethyl 2-cyano-3-methylsulfinyl-3-methylthio propenoate","","- C8 H11 N O3 S2 -","- C8 H11 N O3 S2 -","- C32 H44 N4 O12 S8 -","4","1","AB1239","Singh, S. K.; Kumar, N.; Kumar, A.; Bisht, K. S.; Parmar, V. S.; Errington, W.","(<i>Z</i>)-Ethyl 2-Cyano-3-methylsulfinyl-3-methylthiopropenoate","Acta Crystallographica Section C","1995","51","8","1630","1632","10.1107/S0108270195002538","","","0.71073","MoKα","","0.0582","0.0398","","0.1062","0.0937","","","","1.031","1.057","1.057","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003740","12.43","0.003","7.601","0.002","15.219","0.005","90","","108.1","0.04","90","","1366.7","0.7","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-ethylphenyl(N-carboxymethyl)glycinato-O,O',N]copper(II)","","- C12 H17 Cu N O6 -","- C12 H17 Cu N O6 -","- C48 H68 Cu4 N4 O24 -","4","1","AB1241","Hidalgo, M. A.; Romero, J.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.","Diaqua[<i>N</i>-(2-ethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)","Acta Crystallographica Section C","1995","51","8","1512","1514","10.1107/S0108270195002009","","","0.71069","MoKα","","0.0333","0.0315","","0.0391","0.0385","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003741","9.9342","0.0008","13.0495","0.0013","15.3141","0.0014","96.612","0.0009","102.291","0.001","105.039","0.008","1842.5","0.3","291","1","293","","","","","","","","synthesised by the authors","9","P -1","-P 1","2","","closo-[(3-tert-Butylisocyanide)-3,8-bis(dimethylphenylphosphine)- octahydro-1,2-diarsenanonaborato(1-)-3-palladium(II)(1+)] Hexafluoroantimonate","","- C21 H39 As2 B9 F6 N P2 Pd Sb -","- C21 H39 As2 B9 F6 N P2 Pd Sb -","- C42 H78 As4 B18 F12 N2 P4 Pd2 Sb2 -","2","1","AB1248","Ferguson, G.; Li, Y.; Spalding, T. R.; Patterson, J. C.","(3-<i>tert</i>-Butyl isocyanide)-3,8-bis(dimethylphenylphosphine)octahydro-1,2-diarsa-3-pallada-<i>closo</i>-dodecaboron(1+) Hexafluoroantimonate","Acta Crystallographica Section C","1995","51","8","1498","1500","10.1107/S0108270195002198","","","0.7107","MolybdenumKα","","0.0899","0.043","","0.1176","0.1071","","","","1.026","1.216","1.216","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003742","5.824","0.006","23.038","0.003","10.589","0.005","90","","103.59","0.05","90","","1381","1.6","293.2","","293.2","","","","","","","","synthesized by authors","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O4 S2 -","- C13 H12 O4 S2 -","- C52 H48 O16 S8 -","4","1","AB1250","Glidewell, C.; Lightfoot, P.; Patterson, I. L. J.","Bis(phenylsulfonyl)methane, (PhSO~2~)~2~CH~2~, and Dibromobis(phenylsulfonyl)methane, (PhSO~2~)~2~CBr~2~","Acta Crystallographica Section C","1995","51","8","1648","1651","10.1107/S0108270195002095","","","0.7107","MoKα","","","0.033","","","0.045","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003743","8.215","0.001","10.234","0.001","18.589","0.001","90","","93.72","0.01","90","","1559.5","0.3","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Br2 O4 S2 -","- C13 H10 Br2 O4 S2 -","- C52 H40 Br8 O16 S8 -","4","1","AB1250","Glidewell, C.; Lightfoot, P.; Patterson, I. L. J.","Bis(phenylsulfonyl)methane, (PhSO~2~)~2~CH~2~, and Dibromobis(phenylsulfonyl)methane, (PhSO~2~)~2~CBr~2~","Acta Crystallographica Section C","1995","51","8","1648","1651","10.1107/S0108270195002095","","","0.7107","MoKα","","","0.029","","","0.03","","","","","2.86","2.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003744","12.759","0.001","10.027","0.001","14","0.001","90","","90","","90","","1791.1","0.3","293","1","293","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Imino-1,4,4-triphenylimidazolidin-2-one","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","AB1252","Kopf, J.; Heuer, J. R. P.; Schweim, H. G.","5-Imino-1,4,4-triphenylimidazolidin-2-one: an Imidazolidine with an Exocyclic Imino Group","Acta Crystallographica Section C","1995","51","8","1583","1585","10.1107/S0108270195002630","","","1.54178","CuKα","","0.033","0.0328","","0.0924","0.0919","","","","1.033","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003745","8.2971","0.0011","10.0909","0.0013","13.863","0.004","78.33","0.014","86.203","0.014","87.326","0.008","1133.5","0.4","293","","294","","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","Di-μ-bromo-3:3'κ^4^Br-bis[μ-(2-phenyl-3-phenylamino-3-sulfido-2-azonia prop-2-en-1-yl-3κS:8κC^1^)-1,2-dicarba-3-rhodadodecaborane].","","- C32 H46 B18 Br2 N4 Rh2 S2 -","- C32 H46 B18 Br2 N4 Rh2 S2 -","- C32 H46 B18 Br2 N4 Rh2 S2 -","1","0.5","AB1253","Ferguson, G.; Spalding, T. R.; McEneaney, P. A.","Di-μ-bromo-3:3'κ^4^<i>Br</i>-bis[μ-(2-phenyl-3-phenylamino-3-sulfido-2-azoniaprop-2-en-1-yl-3κ<i>S</i>:8κ<i>C</i>^1^)-1,2-dicarba-3-rhoda-<i>closo</i>-dodecaborane], a Novel Dimeric Metallacarborane Containing a Rh~2~Br~2~ Bridging Section and the {‒SC(NHPh)‒N(Ph)CH~2~‒} Ligand","Acta Crystallographica Section C","1995","51","8","1501","1503","10.1107/S0108270195002101","","","0.7107","MolybdenumKα","","0.06","0.027","","0.038","0.033","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003746","78.98","0.04","5.836","0.003","43.68","0.02","90","","96.89","0.03","90","","19988","17","170","","","","","","","","","","GE speciality chemicals","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 O6 P2 -","- C33 H50 O6 P2 -","- C792 H1200 O144 P48 -","24","3","AS1091","Barren, J. P.; Bryant, G. L.; Garbauskas, M. F.; Mahood, J. A.","Bis(2,4-di-<i>tert</i>-butylphenyl) Pentaerythritol Diphosphite","Acta Crystallographica Section C","1995","51","8","1636","1639","10.1107/S0108270195000965","","","1.54178","CuKα","","0.0553","0.0423","","0.1185","0.1099","","","","","1.185","1.185","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003747","13.3863","0.0009","13.5141","0.0007","24.227","0.002","90","","90","","90","","4382.8","0.5","298","3","","","","","","","","","","6","C c m 21","C 2c -2c","36","","","","- C12 H32 Cl2 N6 Ni O8 -","- C12 H32 Cl2 N6 Ni O8 -","- C96 H256 Cl16 N48 Ni8 O64 -","8","1","AS1130","Tahirov, T. H.; Lu, T.-H.; Lan, W.-J.; Lai, C.-Y.; Chi, T.-Y.; Chung, C.-S.","(Ethylenediamine-<i>N</i>,<i>N</i>')(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","8","1531","1533","10.1107/S0108270195001223","","","0.71073","MoKα","","","0.045","","","0.064","","","","","1.4","1.4","","","","","has coordinates","190662","2020-10-21","18:00:00",""
"2003748","8.582","0.003","9.702","0.002","15.004","0.004","93.75","0.02","98","0.03","114.38","0.02","1116.3","0.6","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 N5 O11 S4 -","- C16 H9 N5 O11 S4 -","- C32 H18 N10 O22 S8 -","2","1","AS1133","Yu, W.-T.; Fang, Q.; Xu, D.; Jiang, M.-H.; Lei, H.","4,5-Bis(2,4-dinitrophenylthio)-1,3-dithiol-2-one Nitromethane Solvate (BNPT-DTO.CH~3~NO~2~)","Acta Crystallographica Section C","1995","51","8","1602","1604","10.1107/S0108270195001429","","","0.71073","MoKα","","","0.0466","","","0.0466","","","","","0.973","0.973","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003749","8.153","0.001","8.482","0.001","20.638","0.002","90","","92.45","0.01","90","","1425.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-3(2-tolyl)thiourea","","- C14 H20 N2 S -","- C14 H20 N2 S -","- C56 H80 N8 S4 -","4","1","AS1160","Akilan, R.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","1-Cyclohexyl-3-(2-tolyl)thiourea","Acta Crystallographica Section C","1995","51","8","1627","1629","10.1107/S0108270195001211","","","0.71073","MoKα","","0.0571","0.0383","","0.1145","0.1065","","","","0.95","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003750","7.996","0.003","20.077","0.002","7.733","0.002","90","","90","","90","","1241.4","0.6","269","","","","","","","","","","Crystallised from methanol solution","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 I N O4 -","- C10 H14 I N O4 -","- C40 H56 I4 N4 O16 -","4","1","AS1168","Okabe, N.; Suga, T.","3-Iodo-<small>L</small>-tyrosine Methanol Solvate (1/1)","Acta Crystallographica Section C","1995","51","8","1700","1701","10.1107/S010827019500271X","","","0.71069","MoKα","","","0.027","","","0.036","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003751","14.212","0.003","17.39","0.004","14.84","0.001","90","","96.1","0.01","90","","3646.9","1.2","193","","","","","","","","","","THF/heptane","6","P 1 21/a 1","-P 2yab","","","","","- C46 H28 F3 Fe N4 O2 -","- C46.57 H28 F1.71 Fe N4 O3 -","- C186.28 H112 F6.84 Fe4 N16 O12 -","4","1","BK0001","Moy, S. A.; González, J. A.; Wilson, L. J.","Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]","Acta Crystallographica Section C","1995","51","8","1490","1494","10.1107/S010827019401334X","","","0.71073","MoKα","","","0.064","","","0.083","","","","","1.95","1.95","","","","","has coordinates","192016","2020-10-21","18:00:00",""
"2003752","7.609","0.002","7.587","0.002","9.414","0.002","90","","105.24","0.03","90","","524.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Methylimidazolium D-Tartrate","1-Methylimidazolium D-Tartrate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","1","BK1056","Fuller, J.","The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate","Acta Crystallographica Section C","1995","51","8","1680","1683","10.1107/S0108270195002514","","","0.71073","MoKα","","0.0584","0.0435","","0.1245","0.1095","","","","1.07","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003753","10.259","0.003","12.016","0.004","8.42","0.003","93.23","0.03","96.52","0.03","78.22","0.02","1008.9","0.6","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H64 Ni P2 S2 -","- C36 Ni P2 S2 -","- C36 Ni P2 S2 -","1","0.5","BK1083","Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H.","Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~]","Acta Crystallographica Section C","1995","51","8","1552","1554","10.1107/S0108270194014940","","","0.71073","MoKα","","","0.05","","","0.063","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003754","13.401","0.002","13.5794","0.001","8.695","0.001","90","0.01","90","0.01","90","0.01","1582.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","exo-2-(eta-6-Hexamethylbenzene)-endo-2-chloro-2-ruthena-arachno-tetraborane","","- C12 H26 B3 Cl Ru -","- C12 H26 B3 Cl Ru -","- C48 H104 B12 Cl4 Ru4 -","4","1","BK1106","Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M.","<i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8)","Acta Crystallographica Section C","1995","51","8","1503","1505","10.1107/S0108270195001272","","","0.71073","MoKα","","0.0353","0.0253","","0.0796","0.072","","","","1.023","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003755","7.312","0.003","8.349","0.004","10.358","0.002","98.82","0.03","96.98","0.03","114.7","0.04","555.4","0.4","297","","","","","","","","","","","4","P -1","-P 1","2","","3-(3-Nitroanilino)cyclohex-2-en-1-one","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C24 H24 N4 O6 -","2","1","BK1107","Huang, K.-S.; Britton, D.; Etter, M. C.","3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione","Acta Crystallographica Section C","1995","51","8","1661","1663","10.1107/S0108270195001740","","","0.71073","MoKα","","","0.062","","","0.079","","","","","2.15","2.15","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003756","9.8537","0.001","14.2586","0.0013","14.7465","0.0014","90","","90","","90","","2071.9","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","BK1114","Clegg, W.; Ranelli, M.; Jackson, R. F. W.","An Epoxyamide","Acta Crystallographica Section C","1995","51","8","1604","1606","10.1107/S0108270195001260","","","1.54184","CuKα","","0.0512","0.048","","0.151","0.1369","","","","1.04","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003757","14.454","0.002","6.305","0.0006","15.085","0.003","90","","112.03","0.02","90","","1274.4","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","? #Bis(pentafluorophenyl)boron Chloride","","- C12 B Cl F10 -","- C12 B Cl F10 -","- C48 B4 Cl4 F40 -","4","1","BK1115","Piers, W. E.; von Spence, R. E.; MacGillivray, L. R.; Zaworotko, M. J.","Bis(pentafluorophenyl)boron Chloride","Acta Crystallographica Section C","1995","51","8","1688","1689","10.1107/S0108270195002526","","","0.7107","MoKα","","0.066","0.035","","0.034","0.033","","","","","2.11","2.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003758","9.349","0.008","13.439","0.008","11.703","0.008","90","","108.16","0.03","90","","1397.1","1.8","293","","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N8 S4 Zn2 -","- C28 H20 N8 S4 Zn2 -","- C56 H40 N16 S8 Zn4 -","2","0.5","BM0001","Gronlund, P. J.; Wacholtz, W. F.; Mague, J. T.","A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand","Acta Crystallographica Section C","1995","51","8","1540","1543","10.1107/S0108270195001995","","","0.71073","MoKα","","","0.071","","","0.083","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003759","8.684","0.003","12.239","0.004","8.974","0.002","90","","93.91","0.02","90","","951.6","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(2S,5R)-2-[(1'R)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C38 H58 N2 O6 S2 -","2","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0481","0.0368","","0.0363","0.0353","","","","","1.754","1.754","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003760","12.457","0.001","12.457","0.001","10.505","0.002","90","","90","","120","","1411.7","0.3","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(+)-(2S,5R)-2-[(1'S)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C57 H87 N3 O9 S3 -","3","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0338","0.0295","","0.0297","0.0292","","","","","1.768","1.768","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003761","10.609","0.003","10.879","0.003","13.419","0.001","90","","100.14","0.01","90","","1524.6","0.6","173","1","173","1","","","","","","","(I) was prepared as described by Stanchev, Christov, Simova, Mladenova & Linden (1995). Suitable crystals were obtained by recrystallisation from CHCl~3~/hexane.","5","P 1 21 1","P 2yb","4","","(-)-(1S,2S,5R)-1-(N,N-Dimethylsulfamoylmethyl)-2-isopropyl-5-methylcyclohexan- 1-ol","","- C13 H27 N O3 S -","- C13 H27 N O3 S -","- C52 H108 N4 O12 S4 -","4","2","BM1004","Linden, A.; Stanchev, S.","Absolute Configuration of a Substituted Cyclohexanol","Acta Crystallographica Section C","1995","51","8","1694","1696","10.1107/S0108270195002368","","","0.71069","MoKα","","0.0448","0.0335","","0.0318","0.0309","","","","","1.705","1.705","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003762","9.415","0.001","9.415","0.001","7.078","0.001","90","","90","","120","","543.35","0.11","298","","298","","","","","","","","","3","P -6 2 m","P -6 -2","189","","σ-Dibarium Diphosphate","","- Ba2 O7 P2 -","- Ba2 O9 P2 -","- Ba6 O27 P6 -","3","0.25","BR1095","ElBelghitti, A. A.; Elmarzouki, A.; Boukhari, A.; Holt, E. M.","σ-Dibarium Pyrophosphate","Acta Crystallographica Section C","1995","51","8","1478","1480","10.1107/S0108270195001739","","","0.71073","MoKα","","","0.0254","","","0.0333","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003763","7.786","0.002","8.984","0.003","11.696","0.004","108.21","0.02","95.13","0.02","109.79","0.02","713.6","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl4 Cu N3 -","- C10 H11 Cl4 Cu N3 -","- C20 H22 Cl8 Cu2 N6 -","2","1","CR1092","Willett, R. D.","2,2'-Iminodipyridinium Tetrachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1517","1519","10.1107/S0108270195002149","","","1.54178","CuKα","","","0.064","","","0.109","","","","","1.74","1.74","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003764","9.5781","0.0008","16.3763","0.0018","17.4396","0.0014","90","","90","","90","","2735.5","0.4","295","","","","","","","","","","","3","F d d d","-F 2uv 2vw","","","","","- C12 F14 O2 -","- C1.5 F1.5 O0.5 -","- C12 F12 O4 -","8","","CR1096","Baenziger, N. C.; Burton, D. J.; Tortelli, V.","2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride","Acta Crystallographica Section C","1995","51","8","1663","1665","10.1107/S0108270195002125","","","1.5418","CuKα","","","0.051","","","0.087","","","","","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003765","11.011","0.002","11.395","0.002","11.491","0.002","114.5","0.2","101.8","0.1","93.3","0.2","1268","2","296","","","","","","","","","","Recrystallized","3","P -1","-P 1","2","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","CR1131","Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C.","(±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione","Acta Crystallographica Section C","1995","51","8","1712","1714","10.1107/S0108270195000850","","","1.5418","CuKα","","","0.069","","","0.068","","","","","0.854","0.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003766","7.853","0.003","11.025","0.001","22.708","0.005","90","","95.96","0.01","90","","1955.4","0.9","296","","","","","","","","","","Recrystallized","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl5 N O2 -","- C19 H10 Cl5 N O2 -","- C76 H40 Cl20 N4 O8 -","4","1","CR1132","Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C.","2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate","Acta Crystallographica Section C","1995","51","8","1709","1711","10.1107/S0108270195001247","","","0.7107","MoKα","","","0.05","","","0.047","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003767","13.663","0.004","15.342","0.003","23.557","0.005","90","","97.64","0.03","90","","4894","2","298","","","","","","","","","","MeOH evaporation","5","P 1 21 1","P 2yb","4","","","","- C42 H68 Br N5 O12 -","- C42 H68 Br N5 O12 -","- C168 H272 Br4 N20 O48 -","4","2","CR1144","Mayer, S. C.; Carroll, P. J.; Joullié, M. M.","The Cyclic Depsipeptide Backbone of the Didemnins","Acta Crystallographica Section C","1995","51","8","1609","1614","10.1107/S0108270194013405","","","1.54184","CuKα","","","0.065","","","0.077","","","","","2.49","2.49","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2003768","6.8102","0.0014","9.8841","0.0018","11.2926","0.0018","74.487","0.016","77.343","0.015","83.58","0.023","713.5","0.2","278","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl N4 O3 -","- C12 H17 Cl N4 O3 -","- C24 H34 Cl2 N8 O6 -","2","1","CR1154","Brownstein, S. K.; Enright, G. D.","2,3-Diamino-5-hydrophenazinium Chloride Trihydrate","Acta Crystallographica Section C","1995","51","8","1579","1581","10.1107/S010827019500103X","","","1.54056","CuKα","","","0.06","","","0.07","","","","","2.3","2.3","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2003769","5.9355","0.0006","11.258","0.001","13.7293","0.0007","113.667","0.006","98.617","0.007","91.947","0.008","826.27","0.13","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 N4 O4 S3 -","- C10 H18 N4 O4 S3 -","- C20 H36 N8 O8 S6 -","2","1","CR1160","Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J.","Thiodicarb","Acta Crystallographica Section C","1995","51","8","1619","1621","10.1107/S0108270195000795","","","1.54178","CuKα","","","0.037","","","0.05","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003770","7.182","0.001","8.947","0.001","18.277","0.002","90","","91.89","0.01","90","","1173.8","0.2","293","","","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O4 -","- C10 H16 N3 O4 -","- C40 H64 N12 O16 -","4","1","CR1161","Abboud, K. A.; Summers, S. P.; Palenik, G. J.","Salicylaldehyde Semicarbazone‒Acetic Acid Hydrogen-Bonded Complex","Acta Crystallographica Section C","1995","51","8","1707","1709","10.1107/S0108270195002113","","","0.71073","MoKα","","","0.042","","","0.041","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003771","5.21","0.002","9.527","0.003","16.524","0.006","90","","90","","90","","820.2","0.5","295","","","","","","","","","","crystallized from CH~3~CN","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 I N S2 -","- C6 H4 I N S2 -","- C24 H16 I4 N4 S8 -","4","1","CR1162","Oakley, R. T.; von Spence, R. E.; Richardson, J. F.","Benzo-1,3,2-dithiazolium Iodide","Acta Crystallographica Section C","1995","51","8","1654","1655","10.1107/S0108270195000862","","","0.71073","MoKα","","","0.026","","","0.03","","","","","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003772","9.288","0.002","10.809","0.002","13.379","0.002","90","","100.91","0.01","90","","1318.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrachlorophenyl","","","- C12 H5 Cl4 N S -","- C12 H5 Cl4 N S -","- C48 H20 Cl16 N4 S4 -","4","1","CR1176","Zhang, H.; Refat, H. M.; Biehl, E.","α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile","Acta Crystallographica Section C","1995","51","8","1667","1670","10.1107/S0108270195004288","","","0.71073","MoKα","","0.058","0.043","","0.131","0.114","","","","1.036","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003773","7.681","0.002","8.78","0.002","12.761","0.003","100.24","0.02","99.65","0.02","108.39","0.02","780.2","0.4","293","2","230","2","","","","","","","","5","P -1","-P 1","2","pentachlorophenyl","","","- C15 H8 Cl5 N O -","- C15 H8 Cl5 N O -","- C30 H16 Cl10 N2 O2 -","2","1","CR1176","Zhang, H.; Refat, H. M.; Biehl, E.","α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile","Acta Crystallographica Section C","1995","51","8","1667","1670","10.1107/S0108270195004288","","","0.71073","MoKα","","0.144","0.056","","0.105","0.075","","","","1.016","1.161","1.161","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003774","9.2037","0.0006","11.114","0.002","30.012","0.005","90","","90","","90","","3069.9","0.8","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Mo8 O14 Pr -","- Mo8 O14 Pr -","- Mo96 O168 Pr12 -","12","1.5","DU1118","Kerihuel, G.; Gougeon, P.","PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","8","1475","1478","10.1107/S0108270195002423","","","0.71073","MoKα","","","0.042","","","0.044","","","","","1.649","1.649","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003775","12.884","0.005","13.675","0.006","9.844","0.006","104.77","0.04","111.99","0.03","73.95","0.04","1523.1","1.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 B N6 O2 Zn -","- C34 H27 B N6 O2 Zn -","- C68 H54 B2 N12 O4 Zn2 -","2","1","FG1030","Kawabata, S.; Nakata, K.; Ichikawa, K.","Benzoato[hydrotris(3-phenylpyrazol-1-yl-<i>N</i>^2^)borato]zinc(II)","Acta Crystallographica Section C","1995","51","8","1554","1556","10.1107/S0108270195001302","","","1.54184","CuKα","","","0.051","","","0.083","","","","","2.38","2.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003776","12.0905","0.0015","12.0619","0.0013","13.97","0.002","89.416","0.008","81.601","0.008","75.202","0.008","1947.8","0.4","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido-closo- 1,2-selenacupraoctahydrododecaborane","","- C36 H40 B10 Cu2 P2 Se -","- C36 H40 B10 Cu2 P2 Se -","- C72 H80 B20 Cu4 P4 Se2 -","2","1","FG1040","Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R.","<i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8)","Acta Crystallographica Section C","1995","51","8","1496","1498","10.1107/S0108270194012011","","","0.71069","MoKα","","0.0307","0.0246","","0.067","0.0641","","","","1.09","1.115","1.115","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003777","14.383","0.004","9.579","0.002","20.122","0.005","90","","90","","90","","2772.3","1.2","293","2","293","2","","","","","","","moved to publ/section/exptl/prep","3","P b c a","-P 2ac 2ab","61","","(+)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydro-anthraquinone","","- C16 H14 O5 -","- C16 H14 O5 -","- C128 H112 O40 -","8","1","FG1057","Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M.","(±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone","Acta Crystallographica Section C","1995","51","8","1641","1643","10.1107/S0108270195001107","","","1.54178","CuKα","","0.0545","0.0478","","0.1427","0.1344","","","","1.081","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003778","8.502","0.002","21.675","0.013","8.741","0.003","90","","115.76","0.02","90","","1450.7","1.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1(R)-methyl-4(1'(R)-phenylethyl)-1H-2,3-benzodiazepine","","- C18 H18 N2 -","- C18 H18 N2 -","- C72 H72 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0559","0.0452","","0.1281","0.1194","","","","1.033","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003779","11.7871","0.0009","10.3877","0.0007","12.4807","0.0008","90","","102.276","0.006","90","","1493.21","0.18","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1(R)-methyl-4(1'(R),2',2'-trimethylpropyl)-1H-2,3-benzodiazepine","","- C16 H22 N2 -","- C16 H22 N2 -","- C64 H88 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0863","0.0435","","0.1226","0.1133","","","","1.035","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003780","12.852","0.006","10.605","0.005","12.331","0.006","90","","111.07","0.03","90","","1568.3","1.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1(R)-methyl-4(1'(R)-ethyl-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C17 H24 N2 -","- C17 H24 N2 -","- C68 H96 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.1076","0.0486","","0.1433","0.1251","","","","1.054","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003781","6.35","0.005","10.954","0.008","21.118","0.018","90","","90","","90","","1469","2","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-4(1'-methoxy-benzyl)-1H-2,3-benzodiazepine","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0691","0.0552","","0.1591","0.1379","","","","1.035","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003782","7.7357","0.0009","9.4583","0.001","11.0128","0.0013","102.929","0.008","101.797","0.006","100.792","0.005","745.48","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1(S)-methyl-4(1'(R)-methoxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C32 H44 N4 O2 -","2","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.037","0.0336","","0.0991","0.0925","","","","1.096","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003783","12.962","0.002","13.4604","0.0008","22.2464","0.0015","90","","90","","90","","3881.4","0.7","298","2","298","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1(R)-methyl-4(1'(R)-benzoyloxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C176 H192 N16 O16 -","8","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.046","0.0345","","0.0992","0.0938","","","","1.069","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003784","10.3302","0.0003","10.638","0.0002","9.7044","0.0002","90","","90","","90","","1066.44","0.04","293","","293","","","","","","","","Associated Octel Company Ltd","4","P 21 21 21","P 2ac 2ab","19","2,6-dichlorophenylguanidinium chloride","2,6-dichlorophenylguanidinium chloride","","- C7 H8 Cl3 N3 -","- C7 H8 Cl3 N3 -","- C28 H32 Cl12 N12 -","4","1","HA1140","Barker, J.; Powell, H. R.","2,6-Dichlorophenylguanidinium Chloride","Acta Crystallographica Section C","1995","51","8","1714","1716","10.1107/S0108270195002150","","","1.5418","CuKα","","0.0417","0.0405","","0.0432","0.0429","","","","","1.0991","1.0991","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003786","10.828","0.006","16.339","0.003","15.034","0.006","90","","125.5","0.02","90","","2165.4","1.6","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Cl Cu N5 S -","- C25 H16 Cl Cu N5 S -","- C100 H64 Cl4 Cu4 N20 S4 -","4","1","HR1027","Parker, O. J.; Breneman, G. L.","<i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~]","Acta Crystallographica Section C","1995","51","8","1529","1531","10.1107/S0108270194007109","","","0.71073","MoKα","","","0.043","","","0.046","","","","","1.26","1.26","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003787","12.384","0.002","7.684","0.002","15.739","0.003","90","","111.65","0.03","90","","1392","0.6","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-DIMETHYLPHENYL(CARBOXYMETHYL)GLYCINATOCOPPER(II)MONOAQUOMONOAMMIN.","","- C12 H18 Cu N2 O5 -","- C12 H18 Cu N2 O5 -","- C48 H72 Cu4 N8 O20 -","4","1","HR1039","Hidalgo, M. A.; Romerosa, A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.","(Ammine)(aqua)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)","Acta Crystallographica Section C","1995","51","8","1510","1512","10.1107/S0108270194015064","","","0.71069","MoKα","","0.2751","0.0387","","0.2601","0.0459","","","","","1.9165","1.9165","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003788","12.195","0.001","12.1952","","6.713","0.002","90","","90","","120","","864.6","0.3","293","","293","","","","","","","","The literature synthesis (Peringer, 1980) produced (1) in crystalline form","6","P -3","-P 3","147","","","","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","1","0.166667","HR1049","Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R.","Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR","Acta Crystallographica Section C","1995","51","8","1547","1549","10.1107/S010827019500196X","","","1.5418","CuKalpha","","","0.036","","","0.046","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003789","9.534","0.004","14.283","0.004","24.02","0.005","90","","90","","90","","3270.9","1.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","oleandrin dihydrate","16ß-(Acetyloxy)-3ß-[(2,6-dideoxy-3-o-mothyl-L-arabino- hexopyranosyl)oxy]-14-hydroxycard-20-(22)-enolide.dihydrate","","- C32 H52 O11 -","- C32 H52 O11 -","- C128 H208 O44 -","4","1","HR1054","Panneerselvam, K.; Soriano-García, M.","16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate","Acta Crystallographica Section C","1995","51","8","1646","1648","10.1107/S0108270195002216","","","1.54178","CuKα","","0.0393","0.0383","","0.1044","0.1033","","","","1.109","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003790","11.679","0.001","11.31","0.001","7.847","0.001","90","","90","","90","","1036.51","0.18","238","5","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 O4 S -","- C8 H16 O4 S -","- C32 H64 O16 S4 -","4","1","HU1071","Hellier, D. G.; Motevalli, M.","5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide","Acta Crystallographica Section C","1995","51","8","1701","1703","10.1107/S0108270193012314","","","0.71069","MoKα","","0.0257","0.0248","","0.0574","0.057","","","","1.011","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003791","8.418","0.001","5.676","0.001","13.403","0.002","90","","94.81","0.01","90","","638.15","0.17","300","","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis-cupferronato copper(II)","bis-(N-nitroso-N-phenylhydroxylaminato) copper(II)","","- C12 H10 Cu N4 O4 -","- C12 H10 Cu N4 O4 -","- C24 H20 Cu2 N8 O8 -","2","0.5","HU1103","Elerman, Y.; Atakol, O.; Svoboda, I.; Geselle, M.","Bis(cupferronato)copper(II), [Cu(C~6~H~5~N~2~O~2~)~2~]","Acta Crystallographica Section C","1995","51","8","1520","1522","10.1107/S0108270195002770","","","0.71069","MoKα","","0.0461","0.0292","","0.0632","0.0617","","","","2.308","2.558","2.558","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003792","9.148","0.002","11.461","0.002","10.22","0.002","90","","90.271","0.015","90","","1071.5","0.4","296","","","","","","","","","","Recrystallized from a CH~2~Cl~2~/acetone","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N4 Ni2 P4 -","- C14 H28 N4 Ni2 P4 -","- C28 H56 N8 Ni4 P8 -","2","0.5","HU1128","Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A.","<i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]","Acta Crystallographica Section C","1995","51","8","1533","1535","10.1107/S0108270194014733","","","0.71069","MoKα","","","0.029","","","0.033","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003793","17.473","0.003","10.926","0.002","16.163","0.003","90","","91.17","0.03","90","","3085","1","295","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl2 N6 O8 Zn -","- C30 H24 Cl2 N6 O8 Zn -","- C120 H96 Cl8 N24 O32 Zn4 -","4","0.5","JZ1001","Chen, X.-M.; Wang, R.-Q.; Yu, X.-L.","Tris(2,2'-bipyridine)zinc(II) Perchlorate","Acta Crystallographica Section C","1995","51","8","1545","1547","10.1107/S0108270195000321","","","0.71073","MoKα","","","0.047","","","0.0646","","","","","2.05","2.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003794","20.32","0.003","18.618","0.004","5.095","0.002","90","","90","","90","","1927.5","0.9","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","JZ1016","Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th.","5-Amino-8-methyl-2-quinolone Monohydrate","Acta Crystallographica Section C","1995","51","8","1689","1691","10.1107/S0108270195001867","","","1.54184","CuKα","","","0.054","","","0.062","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003795","9.441","0.001","9.441","0.002","39.253","0.005","90","","90","","90","","3498.7","0.9","295","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","1","KA1093","Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C.","17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime","Acta Crystallographica Section C","1995","51","8","1581","1583","10.1107/S0108270195001375","","","1.54184","CuKα","","","0.06","","","0.063","","","","","1.9","1.9","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003796","24.612","0.006","60.31","0.008","9.131","0.007","90","","90","","90","","13554","11","293","2","293","2","","","","","","","synthesis","4","F d d 2","F 2 -2d","43","Depogen","","","- C33 H43 N5 O9 -","- C33 H43 N5 O9 -","- C528 H688 N80 O144 -","16","1","KA1104","Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I.","Depogen, a Haemorheological Agent","Acta Crystallographica Section C","1995","51","8","1587","1590","10.1107/S0108270195000709","","","1.5418","CuKα","","0.1266","0.0581","","0.2132","0.1556","","","","1.024","1.126","1.126","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003797","8.869","0.001","21.561","0.003","9.014","0.001","90","","98.33","0.02","90","","1705.5","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O4 S -","- C18 H15 N3 O4 S -","- C72 H60 N12 O16 S4 -","4","1","KA1106","Główka, M. L.; Olubek, Z.; Olczak, A.","3-Nitro-<i>N</i>-phenyl-4-(phenylamino)benzenesulfonamide","Acta Crystallographica Section C","1995","51","8","1639","1641","10.1107/S0108270195001776","","","1.54178","CuKα","","","0.039","","","0.062","","","","","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003798","5.522","0.005","19.389","0.017","8.208","0.006","90","","92.68","0.07","90","","877.8","1.3","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","","L-(+)-α-Bromobenzeneacetic acid, (-)-Menthyl ester","","- C18 H25 Br O2 -","- C18 H25 Br O2 -","- C36 H50 Br2 O4 -","2","1","KA1107","Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M.","<small>L</small>-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester","Acta Crystallographica Section C","1995","51","8","1634","1636","10.1107/S0108270195001430","","","0.71073","MoKα","","0.0406","0.0292","","0.0401","0.0299","","","","","0.68","0.68","","","","","has coordinates","288531","2023-12-23","23:35:59",""
"2003799","7.032","0.001","7.443","0.001","19.574","0.004","90","","90","","90","","1024.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-Methoxyphenyl)pyridine-N-oxide","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","KA1113","Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.","2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative","Acta Crystallographica Section C","1995","51","8","1590","1593","10.1107/S0108270195002083","","","1.54178","CuKα","","0.0413","0.0398","","0.1164","0.1157","","","","1.098","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003800","10.677","0.002","7.75","0.001","13.961","0.003","90","","104.77","0.01","90","","1117.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-methoxyphenyl)-3-methylpyridine-1-oxide","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","KA1113","Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.","2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative","Acta Crystallographica Section C","1995","51","8","1590","1593","10.1107/S0108270195002083","","","1.54178","CuKα","","0.0444","0.0371","","0.1047","0.0981","","","","1.176","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003801","11.028","0.002","11.308","0.003","10.988","0.003","117.1","0.02","114.48","0.02","77.16","0.02","1109.2","0.5","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cl6 Er2 N4 O40 -","- C12 Cl6 Er2 N4 O40 -","- C12 Cl6 Er2 N4 O40 -","1","0.5","KH1001","Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.","Tetrakis(μ-<small>DL</small>-alanine-<i>O</i>:<i>O</i>')octaaquadierbium(III) Hexaperchlorate","Acta Crystallographica Section C","1995","51","8","1565","1568","10.1107/S0108270194013752","","","0.71073","MoKα","","","0.03","","","0.033","","","","","1.39","1.39","","","","","has coordinates","208885","2020-10-21","18:00:00",""
"2003802","7.9455","0.0011","5.8831","0.0007","12.56","0.002","90","","100.822","0.011","90","","576.67","0.14","293","1","293","1","","","","","","","Lowe & Tsanaktsidis","3","P 1 21/c 1","-P 2ybc","14","","(1) Dimethyl 2-methylcubane-1,4-dicarboxylate","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","0.5","KH1021","Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.","Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate","Acta Crystallographica Section C","1995","51","8","1658","1661","10.1107/S0108270195002411","","","0.71069","MoKα","","0.0551","0.0465","","0.1279","0.1233","","","","1.088","1.179","1.179","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003803","6.5835","0.0012","9.487","0.002","10.546","0.002","74.1","0.02","83.81","0.02","87.89","0.02","629.8","0.2","293","1","293","1","","","","","","","Cristiano & Tsanaktsidis","3","P -1","-P 1","2","","(2) Dimethyl 2,3 Dimethylcubane-1,4-dicarboxylate","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","KH1021","Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.","Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate","Acta Crystallographica Section C","1995","51","8","1658","1661","10.1107/S0108270195002411","","","0.71069","MoKα","","0.0551","0.0439","","0.133","0.1256","","","","1.064","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003804","10.527","0.003","12.163","0.003","12.653","0.005","107.36","0.03","104.31","0.03","108.6","0.02","1356.5","0.9","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 Cu4 N18 S4 -","- C50 H58 Cu4 N18 S4 -","- C50 H58 Cu4 N18 S4 -","1","0.5","KH1024","Brooker, S.; Carter, B. M.","Synthesis and Structure of a Tetracopper(II) Complex of a Pyrrole-Containing Unsymmetrical Binucleating Ligand: [Cu~2~<i>L</i>(NCS)~2~]~2~","Acta Crystallographica Section C","1995","51","8","1522","1524","10.1107/S0108270195001363","","","0.71073","MoKα","","0.0807","0.045","","0.0966","0.0838","","","","1.052","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003805","8.128","0.003","10.174","0.003","11.191","0.004","115.19","0.03","97.27","0.03","105.55","0.03","775.4","0.6","298","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H28 N2 Ni O6 -","- C40 H28 N2 Ni O6 -","- C40 H28 N2 Ni O6 -","1","0.5","LI1124","Farina, Y.; Yamin, B. M.; Fun, H.-K.; Yip, B.-C.; Teoh, S.-G.","<i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)nickel(II)","Acta Crystallographica Section C","1995","51","8","1537","1540","10.1107/S0108270195000825","","","0.7107","MoKα","","","0.0389","","","0.0477","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003806","13.188","0.002","7.722","0.001","21.178","0.003","90","","90","","90","","2156.7","0.5","298","","","","","","","","","","prepared in the laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","LI1128","Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K.","2-(4-Hydroxyphenyl)benzothiazole","Acta Crystallographica Section C","1995","51","8","1629","1630","10.1107/S0108270195002071","","","0.71069","MoKα","","","0.0371","","","0.0573","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003807","7.242","0.003","8.454","0.003","12.23","0.006","74.53","0.03","74.15","0.03","78.64","0.03","688","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Mono-[N-(3-aminopropyl)-1,3-propanediamine] diaquasulfatonickel(II) monohydrate","","- C6 H23 N3 Ni O7 S -","- C6 H23 N3 Ni O7 S -","- C12 H46 N6 Ni2 O14 S2 -","2","1","LI1131","Mukherjee, M.; Mukherjee, A. K.; Pariya, C.; Ray Chaudhuri, N.","[<i>N</i>-(3-Aminopropyl)-1,3-propanediamine]diaquasulfatonickel(II) Monohydrate, [Ni(SO~4~)(dpt)(H~2~O)~2~].H~2~O [dpt = NH~2~(CH~2~)~3~NH(CH~2~)~3~NH~2~]","Acta Crystallographica Section C","1995","51","8","1543","1545","10.1107/S0108270195000813","","","0.71073","MoKα","","0.0329","0.0246","","0.0789","0.0579","","","","0.944","0.947","0.947","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003808","10.06","0.002","13.953","0.005","23.804","0.004","90","","95.27","0.01","90","","3327.2","1.5","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 La2 O16 -","- C24 H38 La2 O16 -","- C96 H152 La8 O64 -","4","0.5","MU1143","Lu, W.-M.; Wu, J.-B.; Dong, N.; Chun, W.-G.; Gu, J.-M.; Liang, K.-L.","<i>catena</i>-Diaquatris(α-methylacrylato)lanthanum(III)","Acta Crystallographica Section C","1995","51","8","1568","1570","10.1107/S0108270194013223","","","0.71073","MoKα","","","0.0471","","","0.056","","","","","5.991","5.991","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003809","25.64","0.005","8.4901","0.0008","17.662","0.002","90","","94.22","0.01","90","","3834.3","0.9","298","","","","","","","","","","evaporation from CH~2~Cl~2~/n-hexane","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cr2 O10 P2 -","- C39 H30 Cr2 O10 P2 -","- C156 H120 Cr8 O40 P8 -","4","0.5","MU1146","Ueng, C.-H.; Shih, G.-Y.","[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]","Acta Crystallographica Section C","1995","51","8","1524","1526","10.1107/S0108270194014605","","","0.71073","MoKα","","","0.034","","","0.029","","","","","3.13","3.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003810","25.956","0.004","8.553","0.001","17.784","0.003","90","","94.04","0.01","90","","3938.3","1","298","","","","","","","","","","evaporation from CH~2~Cl~2~/n-hexane","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 O10 P2 W2 -","- C39 H30 O10 P2 W2 -","- C156 H120 O40 P8 W8 -","4","0.5","MU1146","Ueng, C.-H.; Shih, G.-Y.","[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]","Acta Crystallographica Section C","1995","51","8","1524","1526","10.1107/S0108270194014605","","","0.71073","MoKα","","","0.028","","","0.026","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003811","11.002","0.006","8.857","0.004","12.246","0.005","90","","91.38","0.03","90","","1193","1","293","","","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 As I -","- C12 H10 As I -","- C48 H40 As4 I4 -","4","1","MU1163","Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L.","Diphenylarsenic(III) Iodide","Acta Crystallographica Section C","1995","51","8","1632","1634","10.1107/S0108270195001466","","","0.71073","MoKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003812","19.656","0.003","35.939","0.002","12.149","0.002","90","","90","","90","","8582","2","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 La N2 Na O16 -","- C10 H16 La N2 Na O16 -","- C160 H256 La16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003813","19.543","0.005","35.683","0.008","12.142","0.005","90","","90","","90","","8467","5","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na Nd O16 -","- C10 N2 Na Nd O16 -","- C160 N32 Na16 Nd16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.025","","","0.031","","","","","1.56","1.56","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003814","19.46","0.003","35.583","0.003","12.127","0.003","90","","90","","90","","8397","3","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 Eu N2 Na O16 -","- C160 Eu16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.028","","","0.032","","","","","1.97","1.97","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003815","7.494","0.001","7.538","0.003","38.3","0.09","90","","90","","90","","2164","5","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(1S)-2-[(1R,1'R)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54056","CuKα","","0.2612","0.0784","","0.327","0.2139","","","","0.904","1.236","1.236","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003816","17.224","0.003","17.224","0.003","7.416","0.002","90","","90","","90","","2200.1","0.8","293","2","293","2","","","","","","","chemical synthesis","5","P 43","P 4cw","78","","(1S)-2-[(1S,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.1211","0.0616","","0.1876","0.1527","","","","0.958","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003817","13.627","0.002","7.298","0.002","11.527","0.002","90","","108.16","0.01","90","","1089.3","0.4","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","","(1S)-2-[(1R,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C42 H66 Cl2 N4 O4 -","2","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.072","0.0369","","0.0924","0.0831","","","","0.795","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003818","10.567","0.003","11.156","0.003","9.54","0.002","90","","95.42","0.04","90","","1119.6","0.5","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C24 H44 N12 O20 S8 -","4","1","MU1166","Kubiak, M.; Glowiak, T.; Raper, E. S.","(2-Oxo-1,3-thiazolidin-3-yl)carbonylthioethylammonium Nitrate, C~6~H~11~N~2~O~2~S~2~^+^.NO~3~^{-^}","Acta Crystallographica Section C","1995","51","8","1691","1693","10.1107/S010827019500148X","","","0.71069","MoKα","","","0.038","","","0.041","","","","","3.81","3.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003819","8.235","0.002","8.602","0.001","19.604","0.001","90","","90","","90","","1388.7","0.4","293","","","","","","","","","","synthesis and recrystallization","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl2 Cu N3 -","- C12 H17 Cl2 Cu N3 -","- C48 H68 Cl8 Cu4 N12 -","4","1","MU1170","Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y.","Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II)","Acta Crystallographica Section C","1995","51","8","1519","1520","10.1107/S010827019500223X","","","0.71073","MoKα","","","0.031","","","0.042","","","","","1.034","1.034","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003820","13.029","0.002","25.722","0.009","13.791","0.006","90","","90","","90","","4622","3","293","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Cl2 Cr F6 N4 P -","- C17 H24 Cl2 Cr F6 N4 P -","- C136 H192 Cl16 Cr8 F48 N32 P8 -","8","1","MU1171","Wong, W.-T.; Leung, W.-H.","<i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate","Acta Crystallographica Section C","1995","51","8","1494","1495","10.1107/S0108270195002241","","","0.71073","MoKα","","","0.074","","","0.088","","","","","3.061","3.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003821","25.975","0.003","8.013","0.002","14.051","0.002","90","","110.34","0.02","90","","2742.2","0.9","299","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl3 Hg N2 -","- C10 H14 Cl3 Hg N2 -","- C80 H112 Cl24 Hg8 N16 -","8","1","NA1108","Zouari, F.; Ben Salah, A.; Hovestreydt, E. R.","Phenylpiperazinium Trichloromercurate","Acta Crystallographica Section C","1995","51","8","1563","1565","10.1107/S0108270194013454","","","0.71073","MoKα","","","0.0529","","","0.0615","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003822","19.1","0.002","9.826","0.001","13.411","0.001","90","","129.53","0.06","90","","1941.3","1.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl N6 -","- C8 H11 Cl N6 -","- C64 H88 Cl8 N48 -","8","2","NA1131","Carugo, O.; Castellani, C. B.; Perotti, A.","Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","8","1683","1687","10.1107/S0108270195000187","","","1.54184","CuKα","","","0.047","","","0.031","","","","","0.899","0.899","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003823","9.819","0.001","21.581","0.002","7.027","0.001","90","","113.88","0.06","90","","1361.6","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cl2 N6 O2 -","- C8 H16 Cl2 N6 O2 -","- C32 H64 Cl8 N24 O8 -","4","1","NA1131","Carugo, O.; Castellani, C. B.; Perotti, A.","Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","8","1683","1687","10.1107/S0108270195000187","","","1.54184","CuKα","","","0.039","","","0.03","","","","","0.935","0.935","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003824","34.342","0.009","12.642","0.002","34.23","0.009","90","","119.43","0.02","90","","12943","6","295","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H190 N8 O17 U2 -","- C122 N8 O17 U2 -","- C488 N32 O68 U8 -","4","0.5","NA1138","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene","Acta Crystallographica Section C","1995","51","8","1570","1574","10.1107/S0108270195000710","","","0.71073","MoKα","","","0.052","","","0.073","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003825","7.624","0.002","10.027","0.002","12.001","0.003","97.46","0.01","106.79","0.01","108.76","0.01","806.2","0.3","294","2","294","2","","","","","","","","5","P 1","P 1","1","","[(Aqua)(L-serinato)(1,10-phenantroline) copper(II)] nitrate.","","- C15 H16 Cu N4 O7 -","- C15 H16 Cu N4 O7 -","- C30 H32 Cu2 N8 O14 -","2","2","NA1141","Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R.","Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate","Acta Crystallographica Section C","1995","51","8","1505","1508","10.1107/S0108270195002010","","","0.71073","MoKα","","0.0516","0.0383","","0.107","0.1018","","","","1.046","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003826","7.9463","0.0015","9.549","0.005","26.364","0.006","90","","90","","90","","2000.5","1.2","293","2","293","2","","","","","","","slow evaporation of aqueous solution at 293K","4","P b c a","-P 2ac 2ab","61","","Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate","","- C8 H11 K O5 -","- C8 H11 K O5 -","- C64 H88 K8 O40 -","8","1","NA1143","Kim, S. A.","Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate","Acta Crystallographica Section C","1995","51","8","1486","1488","10.1107/S0108270195001673","","","0.71069","MoKα","","0.0674","0.0434","","0.1286","0.1121","","","","1.026","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003827","6.988","0.002","14.11","0.003","30.133","0.006","90","","90","","90","","2971.1","1.2","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","5","P b c a","-P 2ac 2ab","61","","3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C144 H96 F24 N8 O8 -","8","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0588","0.0554","","0.1543","0.1497","","","","1.181","1.212","1.212","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003828","6.076","0.002","14.055","0.006","15.087","0.009","90","","90","","90","","1288.4","1","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","4","P 21 21 21","P 2ac 2ab","19","","3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0585","0.0554","","0.1643","0.1597","","","","1.153","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003829","12.139","0.003","14.635","0.003","27.951","0.007","90","","90","","90","","4966","2","293","","","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O4 -","- C27 H40 O4 -","- C216 H320 O32 -","8","2","","Puliti, R.; Mattia, C. A.; Mazzarella, L.","Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior","Acta Crystallographica Section C","1995","51","8","1703","1707","10.1107/S0108270195002034","","","1.54056","CuKα","","","0.04","","","0.039","","","","","0.89","0.89","","","","","has coordinates","175356","2020-10-21","18:00:00",""
"2003830","8.166","0.002","8.845","0.002","5.934","0.001","102.54","0.02","94.37","0.02","113.57","0.02","377.05","0.16","297","","","","","","","","","","hydrothermal synthesis","4","P -1","-P 1","2","","","","- Cu9 H2 O20 P4 -","- Cu9 H2 O20 P4 -","- Cu9 H2 O20 P4 -","1","0.5","OH1045","Yamashita, A.; Kawahara, A.; Sasaki, N.","Synthetic Copper Monophosphate","Acta Crystallographica Section C","1995","51","8","1483","1485","10.1107/S0108270193008145","","","0.71069","MoKα","","","0.042","","","0.057","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003831","22.288","0.002","22.288","0.002","22.288","0.002","90","","90","","90","","11071.7","1.7","295","","","","","","","","","","synthesis","5","F d -3 c","-F 4ud 2vw 3","","","","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","","OH1078","Ohba, S.; Fujita, T.; Bernal, I.","Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1481","1483","10.1107/S0108270195001521","","","0.71073","MoKα","","","0.03","","","0.031","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003832","22.155","0.003","22.155","0.003","22.181","0.006","90","","90","","90","","10887","4","120","","","","","","","","","","synthesis","5","F 41/a d c","-I 4bd 2c (1/2*x+1/2*y,-1/2*x+1/2*y,z)","142","","","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","","OH1078","Ohba, S.; Fujita, T.; Bernal, I.","Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1481","1483","10.1107/S0108270195001521","","","0.71073","MoKα","","","0.1","","","0.092","","","","","6.73","6.73","","","","","has coordinates","206090","2020-10-21","18:00:00",""
"2003833","6.999","0.001","7.787","0.002","26.933","0.003","91.68","0.02","89.54","0.01","105.37","0.02","1414.8","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5,6-dihydro-1,3-dithiolo[4,5-b]-1,4- dithiin tetrafluoroborate (2:1)","","- C20 H20 B F4 S12 -","- C20 H16 B F4 S12 -","- C40 H32 B2 F8 S24 -","2","1","OH1079","Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I.","Organic Metal (DIMET)~2~BF~4~","Acta Crystallographica Section C","1995","51","8","1656","1658","10.1107/S0108270195001806","","","0.71068","MoKα","","","0.04","","","0.043","","","","","4.38","4.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003834","10.021","0.003","5.991","0.002","18.094","0.006","90","","101.1","0.03","90","","1066","0.6","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.037","","","0.037","","","","","0.83","0.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003835","11.28","0.05","7.92","0.03","13.45","0.05","90","","105.16","0.08","90","","1160","8","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.072","","","0.072","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003836","7.236","0.007","7.714","0.003","21.663","0.007","90","","112.34","0.06","90","","1118.4","1.3","298","","","","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.046","","","0.046","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003837","10.749","0.009","9.509","0.003","17.977","0.005","90","","146.08","0.07","90","","1025","2","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.034","","","0.034","","","","","0.046","0.046","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003838","9.8","0.02","15.88","0.05","9.38","0.02","96.08","0.08","105.8","0.08","77.3","0.1","1369","6","100","","","","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C60 H66 N6 O12 -","6","3","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","1.5428","CuKα","","","0.066","","","0.066","","","","","1.22","1.22","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003839","9.598","0.001","11.636","0.002","12.759","0.002","110.64","0.02","107.07","0.02","96.58","0.02","1236.3","0.4","25","","","","","","","","","","methanol solution","4","P -1","-P 1","2","","","","- C10 H20 N2 O3 -","- C10 H19 N2 O3 -","- C40 H76 N8 O12 -","4","2","PA1103","Aubry, A.; Dupont, V.; Marraud, M.","^<i>t^</i>BuCO-ψ[CO-N(OH)]-Gly-NH^<i>i^</i>Pr","Acta Crystallographica Section C","1995","51","8","1577","1579","10.1107/S0108270194006025","","","1.5406","CuKα","","","0.074","","","0.087","","","","","10.3","10.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003840","14.078","0.003","9.473","0.002","14.899","0.003","90","","79.51","0.03","90","","1953.7","0.7","293","","293","","","","","","","","grown from heptane solution","4","P 1 21/a 1","-P 2yab","14","Spiro[azatricycloundecane-naphthoxazine]","8-methyl-spiro[syn-10,11-benzo-8-azatricyclo[5,2,2,0^1,5^] undecane-9-3'[3H]naphth[1,2b][1,4]oxazine","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C104 H96 N8 O4 -","4","1","PA1155","Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E.","8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine","Acta Crystallographica Section C","1995","51","8","1617","1619","10.1107/S0108270195000205","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","","0.71","0.71","","","","","has coordinates","198477","2020-10-21","18:00:00",""
"2003841","7.957","0.005","11.92","0.003","21.533","0.003","90","","99.72","0.01","90","","2013","1.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-ethoxy-2-methylspiro(syn-5,6-benzo-2-azabicyclo[2,2,2] octane-3,3'-[3H]naphth[2,1,b][1,4]oxazine)","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","PA1159","Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G.","Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1995","51","8","1614","1617","10.1107/S0108270195000229","","","1.5418","CuKα","","0.052","0.052","","0.052","0.052","","","","0.19","0.19","0.19","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2003842","9.299","0.003","9.592","0.004","13.263","0.005","79.42","0.03","69.85","0.03","62.55","0.03","985.1","0.7","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 S2 -","- C27 H18 S2 -","- C54 H36 S4 -","2","1","PA1161","Leino, R. P.; Luttikhedde, H. J. G.; Nasman, J. H.; Ahlgrén, M.; Pakkanen, T.","Dispiro(fluorene-9,4'-[1,3]dithiolane-5',9''-fluorene)","Acta Crystallographica Section C","1995","51","8","1593","1594","10.1107/S010827019500165X","","","0.71073","MoKα","","","0.047","","","0.047","","","","","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003843","10.233","0.002","18.605","0.003","19.9","0.003","90","","101.19","0.01","90","","3716.6","1.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,5,8-hexakis-trimethylsilyl-1,2,3,4,5,8-hexahydro-naphthalene.","","- C28 H62 Si6 -","- C28 H62 Si6 -","- C112 H248 Si24 -","4","1","PA1172","Leger, J. M.; Grignon-Dubois, M.; Laguerre, M.","1,2,3,4,5,8-Hexakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalene: the First Example of Double-<i>peri</i> Trimethylsilyl Substitution","Acta Crystallographica Section C","1995","51","8","1665","1667","10.1107/S0108270195002484","","","1.5418","CuKα","","","0.051","","","0.072","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003844","5.916","0.001","13.808","0.002","35.841","0.005","90","","90","","90","","2927.8","0.8","290","","","","","","","","","","grown from EtOAc","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Br O4 -","- C34 H33 Br O4 -","- C136 H132 Br4 O16 -","4","1","PT1000","Gao, Q.; Yu, K.-L.; Mansuri, M. M.; Kerns, E. H.; Starrett, Jnr, J. E.","Methyl 6-[(4-Bromobenzoyloxy)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)methyl]-2-naphthalenecarboxylate","Acta Crystallographica Section C","1995","51","8","1672","1675","10.1107/S0108270195001958","","","1.5418","CuKα","","","0.045","","","0.057","","","","","1.643","1.643","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003845","6.169","0.002","6.894","0.002","12.797","0.002","90","","101.98","0.03","90","","532.4","0.3","293","","","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C20 H22 N6 O8 -","2","1","VJ1016","Das, A. K.; Mazumdar, S. K.","3'-Isocyano-2',3'-dideoxyuridine (NCddUrd): a Nucleoside Analogue","Acta Crystallographica Section C","1995","51","8","1652","1654","10.1107/S0108270195000114","","","1.54184","CuKα","","","0.037","","","0.04","","","","","1.161","1.161","","","","","has coordinates","198478","2020-10-21","18:00:00",""
"2003846","5.333","0.002","23.891","0.006","9.876","0.002","90","","101.68","0.02","90","","1232.3","0.6","298","","","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C21 H17 O3 -","- C84 H68 O12 -","4","1","AB1213","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)","Acta Crystallographica Section C","1995","51","9","1880","1883","10.1107/S0108270195002940","","","0.71073","MoKα","","","0.0601","","","0.0766","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003847","7.238","0.003","7.822","0.003","29.518","0.013","90","","90.48","0.04","90","","1671.1","1.2","298","","","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","AB1213","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)","Acta Crystallographica Section C","1995","51","9","1880","1883","10.1107/S0108270195002940","","","0.71073","MoKα","","","0.0528","","","0.0474","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003848","7.879","0.003","16.867","0.006","11.826","0.004","90","","100.35","0.03","90","","1546","1","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 I Ir O S -","- C14 H22 I Ir O S -","- C56 H88 I4 Ir4 O4 S4 -","4","1","AB1226","Terblans, Y. M.; Basson, S. S.; Purcell, W.; Lamprecht, G. J.","(η^4^-1,5-Cyclooctadiene)(iodo)(methyl)(thioacetylacetonato)iridium(III)","Acta Crystallographica Section C","1995","51","9","1748","1750","10.1107/S010827019500254X","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003849","6.593","0.004","10.237","0.005","20.219","0.01","90","","90","","90","","1364.6","1.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4S) 1-[(1S)-1-phenylethyl]-3-hydroxy-2-hydroxymethyl-4-methyl pyrrolidine","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","AB1230","Chiaroni, A.; Riche, C.; Nicole, L.","(2<i>R</i>,3<i>S</i>,4<i>S</i>)-3-Hydroxy-4-methyl-1-[(1<i>S</i>)-1-phenylethyl]pyrrolidine-2-methanol","Acta Crystallographica Section C","1995","51","9","1859","1861","10.1107/S0108270194015027","","","1.5418","CuKα","","","0.036","","","0.049","","","","","0.64","0.64","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003850","6.799","0.002","10.4","0.002","22.909","0.005","90","","96.86","0.02","90","","1608.3","0.7","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-Methylimidazolinylidene(1,3-dimethylimidazolinylidene) gold(I) trifluoromethanesufonate","","- C10 H14 Au F3 N4 O3 S -","- C10 H14 Au F3 N4 O3 S -","- C40 H56 Au4 F12 N16 O12 S4 -","4","1","AB1233","Kruger, G. J.; Olivier, P. J.; Lindeque, L.; Raubenheimer, H. G.","(1,3-Dimethylimidazolinylidene)(1-methylimidazolinylidene)gold(I) Trifluoromethanesulfonate","Acta Crystallographica Section C","1995","51","9","1814","1816","10.1107/S0108270195003167","","","0.7093","MoKα","","0.145","0.057","","0.049","0.04","","","","2.082","2.045","2.045","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003851","6.015","0.002","8.052","0.003","14.387","0.005","98.83","0.03","94.21","0.03","108.65","0.03","646.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 N O4 S -","- C15 H9 N O4 S -","- C30 H18 N2 O8 S2 -","2","1","AB1240","Lamiot, J.; Baert, F.; Taverne, T.; Houssin, R.; Lesieur, I.","4-(2-Carboxybenzoyl)-2(3<i>H</i>)-benzothiazolone","Acta Crystallographica Section C","1995","51","9","1912","1915","10.1107/S0108270195003179","","","0.71073","MoKα","","","0.0496","","","0.0557","","","","","1.62","1.62","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003852","16.037","0.003","8.769","0.004","12.804","0.003","90","","90","","90","","1800.6","1","153","","","","","","","","","","see text","4","C m c 21","C 2c -2","36","","","","- C14 H21 B10 P -","- C14 H21 B10 P -","- C56 H84 B40 P4 -","4","0.5","AB1245","Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diphenylphosphino-1,2-dicarba-<i>closo</i>-dodecaborane(12) at 153 K","Acta Crystallographica Section C","1995","51","9","1868","1870","10.1107/S0108270195002605","","","0.71073","MoKα","","","0.062","","","0.045","","","","","1.253","1.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003853","18.278","0.012","13.866","0.007","13.52","0.005","90","","90","","90","","3427","3","193","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H27 B10 P -","- C9 H27 B10 P -","- C72 H216 B80 P8 -","8","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.095","","","0.082","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003854","10.254","0.005","17.128","0.006","13.717","0.006","90","","104.39","0.04","90","","2333.5","1.8","193","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 P2 -","- C14 H38 B10 P2 -","- C56 H152 B40 P8 -","4","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.053","","","0.05","","","","","1.594","1.594","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003855","12.353","0.002","12.353","0.002","12.931","0.002","90","","90","","120","","1708.9","0.5","291","2","291","2","","","","","","","","3","R -3 :H","-R 3","148","octachlorosilasesquioxane","","","- Cl8 O12 Si8 -","- Cl8 O12 Si8 -","- Cl24 O36 Si24 -","3","0.166667","AB1255","Törnroos, K. W.; Calzaferri, G.; Imhof, R.","Octachlorosilasesquioxane, Cl~8~Si~8~O~12~","Acta Crystallographica Section C","1995","51","9","1732","1735","10.1107/S0108270195004410","","","0.71073","MoKα","","0.2354","0.0459","","0.1246","0.07","","","","1.041","1.184","1.184","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003856","8.3218","0.0005","15.1916","0.0012","14.9796","0.0009","90","","102.43","0.01","90","","1849.4","0.2","153","2","153","2","","","","","","","Adolfsson et al.","6","P 1 21/n 1","-P 2yn","14","","trichloro[tris(2-pyridyl)methanol]rhodium(III).MeOH","","- C17 H17 Cl3 N3 O2 Rh -","- C17 H17 Cl3 N3 O2 Rh -","- C68 H68 Cl12 N12 O8 Rh4 -","4","1","AB1264","Ertan, A.; Adolfsson, H.; Moberg, C.","Trichloro[tris(2-pyridyl)methanol]rhodium(III)‒Methanol (1/1)","Acta Crystallographica Section C","1995","51","9","1761","1765","10.1107/S0108270195002939","","","0.71069","MoKα","","0","0.0301","","0","0.0334","","","","","","","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2003857","20.019","0.004","6.878","0.001","8.923","0.002","90","","112.87","0.03","90","","1132","0.5","293","2","293","2","","","","","","","Methylation of uridine.","4","C 1 2 1","C 2y","5","3-methyluridine","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","0.71073","MoKα","","0.0442","0.0345","","0.1254","0.1029","","","","1.141","0.946","0.946","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003858","10.622","0.002","13.662","0.003","16.525","0.003","90","","90","","90","","2398.1","0.8","293","2","293","2","","","","","","","Methylation of inosine.","4","P 21 21 21","P 2ac 2ab","19","1-methylinosine","","","- C11 H14 N4 O5 -","- C11 H14 N4 O5 -","- C88 H112 N32 O40 -","8","2","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","1.54178","CuKα","","0.076","0.05","","0.1668","0.1287","","","","1.084","0.98","0.98","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003859","17.729","0.011","13.521","0.013","23.842","0.006","90","","114.64","0.02","90","","5195","6","296","","296","","","","","","","","Chloroform solution","4","C 1 2/c 1","-C 2yc","15","","dipotassium bis(2-[[2-[2-[2-[2-(2-hydroxyethoxy)]- phenoxy]ethoxy]phenoxy]ethoxy]methyl]benzoate) trihydrate","","- C52 H62 K2 O20 -","- C52 H52 K2 O24 -","- C208 H208 K8 O96 -","4","0.5","AS1158","Kasuga, N. C.; Yamaguchi, K.; Ohashi, Y.","Potassium Salt of a Synthetic Carboxylic Ionophore","Acta Crystallographica Section C","1995","51","9","1816","1819","10.1107/S0108270195003283","","","1.5418","CuKα","","","0.051","","","0.065","","","","","1.703","1.703","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003860","9.557","0.001","13.58","0.001","8.29","0.001","90.819","0.007","112.97","0.01","97.737","0.007","978.95","0.19","295","","","","","","","","","","recrystallized from ethanol solution","4","P -1","-P 1","2","","","","- C20 H28 N4 O2 -","- C20 H28 N4 O2 -","- C40 H56 N8 O4 -","2","1","AS1162","Nagahara, Y.; Hirayama, N.; Matsumiya, S.; Kono, M.; Shimada, J.; Suzuki, F.","8-(Noradamantan-3-yl)-1,3-dipropylxanthine","Acta Crystallographica Section C","1995","51","9","1955","1957","10.1107/S0108270195004021","","","1.54184","CuKα","","","0.076","","","0.0815","","","","","0.801","0.801","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003861","7.64","0.001","8.804","0.001","32.126","0.002","90","","98.28","0.01","90","","2138.4","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2:1 theophylline-5FU complex H2O","","","- C18 H21 F N10 O7 -","- C18 H21 F N10 O7 -","- C72 H84 F4 N40 O28 -","4","1","AS1172","Zaitu, S.; Miwa, Y.; Taga, T.","A 2:1 Molecular Complex of Theophylline and 5-Fluorouracil as the Monohydrate","Acta Crystallographica Section C","1995","51","9","1857","1859","10.1107/S0108270195003295","","","1.54178","CuKα","","","0.059","","","0.072","","","","","1.19","1.19","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003862","10.872","0.001","14.559","0.001","12.674","0.001","90","","100.27","0.01","90","","1974","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Phenyl-4-(2'-thienyl)-5,5-dicarbethoxypyrrolidin-2-one.","","- C20 H21 N O5 S -","- C20 H20.867 N O5 S -","- C80 H83.468 N4 O20 S4 -","4","1","AS1174","Kandasamy, S.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.","Diethyl 5-Oxo-1-phenyl-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate, C~20~H~21~NO~5~S","Acta Crystallographica Section C","1995","51","9","1942","1944","10.1107/S0108270195003362","","","0.71073","MoKα","","0.073","0.0425","","0.1183","0.1071","","","","0.936","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003863","7.6582","0.0005","23.765","0.003","5.2255","0.0003","95.68","0.007","99.073","0.005","96.759","0.007","925.88","0.14","23","","23","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H32 Cl N O -","- C17 H32 Cl N O -","- C34 H64 Cl2 N2 O2 -","2","1","AS1176","Vongbupnimit, K.; Noguchi, K.; Okuyama, K.","1-Dodecylpyridinium Chloride Monohydrate","Acta Crystallographica Section C","1995","51","9","1940","1941","10.1107/S0108270195004537","","","1.5418","CuKα","","","0.063","","","0.073","","","","","9.33","9.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003864","9.0653","0.0005","11.1733","0.0006","11.8981","0.0007","90","","91.253","0.005","90","","1204.86","0.12","296","","","","","","","","","","crystallized by slow evaporation from CH~2~Cl~2~/CH~3~OH","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 I N O3 P -","- C7 H17 I N O3 P -","- C28 H68 I4 N4 O12 P4 -","4","1","BK1019","Kumaravel, G.; Gandour, R. D.; Fronczek, F. R.","2,6,6-Trimethyl-2-oxo-1,3-dioxa-6-azonia-2-phosphocyclooctane Iodide","Acta Crystallographica Section C","1995","51","9","1919","1921","10.1107/S0108270195003556","","","0.71073","MoKα","","","0.033","","","0.04","","","","","2.074","2.074","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003865","22.662","0.005","7.671","0.001","18.443","0.001","90","","99.6","0.01","90","","3161.2","0.8","296","","","","","","","","","","National Cancer Institute, NSC 353648","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","BK1028","Ala, P.; Yang, D. S. C.","6-[1-(4-Ethoxyphenyl)ethyl]-5-methoxy-1,3-benzodioxole","Acta Crystallographica Section C","1995","51","9","1917","1919","10.1107/S0108270195003647","","","1.54178","CuKα","","","0.05","","","0.061","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003866","9.556","0.003","18.694","0.004","18.465","0.002","90","","95.77","0.01","90","","3281.9","1.3","295","1","295","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 O8 Ru3 -","- C36 H20 O8 Ru3 -","- C144 H80 O32 Ru12 -","4","1","BK1098","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.","Alkyne Coupling Induced by a Trinuclear Ruthenium Cluster: Synthesis and Structure of Di-μ-carbonyl-hexacarbonyl-μ~3~-(1,2,3,4-tetraphenyl-1,3-butadiene-1,4-diyl)-triruthenium(2 <i>Ru</i>—<i>Ru</i>), [Ru~3~(CO)~8~(C~4~Ph~4~)]","Acta Crystallographica Section C","1995","51","9","1819","1822","10.1107/S0108270195002861","","","0.7107","MoKα","","","0.0336","","","0.049","","","","","2.012","2.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003867","11.984","0.002","8.769","0.001","16.215","0.002","90","","91.24","0.02","90","","1703.6","0.4","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","BK1102","Kumaradhas, P.; Nirmala, K. A.; Ravikumar, K.","<i>trans</i>-(±)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate","Acta Crystallographica Section C","1995","51","9","1932","1934","10.1107/S0108270195002654","","","0.7106","MoKα","","","0.039","","","0.048","","","","","0.91","0.91","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003868","10.848","0.001","10.974","0.001","14.109","0.002","100.93","0.01","104.05","0.01","90.05","0.01","1597.9","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 Br N -","- C18 H24 Br N -","- C72 H96 Br4 N4 -","4","2","BK1104","Patrick, G. L.; Willis, A. C.","(±)-(4aα,4bβ,10bβ,12aβ)-9-Bromo-2-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-<i>f</i>]isoquinoline Formed from the Acid-Catalyzed Cyclization of 5-[2-(4-Bromophenyl)ethyl]-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline","Acta Crystallographica Section C","1995","51","9","1937","1940","10.1107/S0108270195004975","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003869","5.0037","0.0007","10.594","0.0014","35.728","0.005","90","","93.689","0.011","90","","1890","0.5","298","","","","","","","","","","electrocrystallization","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag F12 S16 -","- C28 H24 Ag F12 S16 -","- C56 H48 Ag2 F24 S32 -","2","0.5","BK1111","Geiser, U.; Schlueter, J. A.; Dudek, J. D.; Williams, J. M.; Naumann, D.; Roy, T.","Non-Superconducting Phase of Bis(3,4;3',4'-ethylenedithio)-2,2',5,5'-tetrathiafulvalene‒Tetrakis(trifluoromethyl)argentate(III) (2/1), (BEDT-TTF)~2~[Ag(CF~3~)~4~]","Acta Crystallographica Section C","1995","51","9","1779","1782","10.1107/S0108270195003064","","","0.7107","MoKα","","","0.039","","","0.038","","","","","1.85","1.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003870","13.782","0.001","29.581","0.002","5.502","0.003","90","","90","","90","","2243.1","1.2","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-tetra-O-acetyl-N-β-D-glucopyranosyl-S-phenylsulfenamide","","- C20 H25 N O9 S -","- C20 H25 N O9 S -","- C80 H100 N4 O36 S4 -","4","1","BM1001","Lee, C. K.; Linden, A.; Vasella, A.","<i>N</i>-<small>D</small>-Glucopyranosyl-<i>S</i>-phenylsulfenamide: Structure and Evaluation as a Novel β-Glucosidase Inhibitor","Acta Crystallographica Section C","1995","51","9","1906","1910","10.1107/S0108270195005944","","","0.71073","MoKα","","0.0794","0.0452","","0.045","0.0416","","","","","1.505","1.505","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003871","9.3352","0.0006","19.2342","0.001","9.3903","0.0007","90","","93.039","0.006","90","","1683.71","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine","","- C18 H21 N5 -","- C18 H21 N5 -","- C72 H84 N20 -","4","1","BM1002","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","3-Methyl-6-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazepine","Acta Crystallographica Section C","1995","51","9","1889","1891","10.1107/S0108270195003337","","","1.5418","CuKα","","0.0775","0.0385","","0.1043","0.094","","","","0.897","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003872","6.721","0.001","9.002","0.002","22.914","0.005","90","","91.46","0.03","90","","1385.9","0.5","150","2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohepta-3,5-dien-1-yl 3',5'-dinitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","BM1005","Allen, F. H.; Howard, J. A. K.; Pitchford, N. A.; Steel, P. G.","Cyclohepta-3,5-dien-1-yl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1946","1949","10.1107/S0108270195003957","","","0.71073","MoKα","","0.1115","0.0518","","0.2078","0.1431","","","","1.063","1.168","1.168","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003873","15.307","0.003","7.018","0.001","17.014","0.006","90","","107.61","0.02","90","","1742.1","0.8","140","0.2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-3-(3'4'5'-trimethoxyphenyl)-5,6-methylenedioxy-1,3- dihydroisobenzofuran","","- C19 H20 O7 -","- C19 H20 O7 -","- C76 H80 O28 -","4","1","BM1006","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Qianrong, L.","1-Methoxy-5,6-methylenedioxy-3-(3,4,5-trimethoxyphenyl)-1,3-dihydroisobenzofuran","Acta Crystallographica Section C","1995","51","9","1891","1893","10.1107/S0108270195004689","","","0.71069","MoKα","","0.0571","0.0363","","0.1137","0.0852","","","","0.52","0.515","0.515","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003874","12.069","0.001","12.6","0.002","13.556","0.002","87.97","0.01","67.36","0.01","80.19","0.01","1873.7","0.5","150","0.2","150","2","","","","","","","","8","P -1","-P 1","2","","aquacarbonylbis(triphenylarsine)rhodium(I) tetrafluoroborate dichloromethane (1/1)","","- C38 H34 As2 B Cl2 F4 O2 Rh -","- C38 H34 As2 B Cl2 F4 O2 Rh -","- C76 H68 As4 B2 Cl4 F8 O4 Rh2 -","2","1","BM1007","Hursthouse, M. B.; Malik, K. M. A.; Evans, E. W.; Howlader, M. B. H.; Atlay, M. T.","<i>trans</i>-Aquacarbonylbis(triphenylarsine)rhodium(I) Tetrafluoroborate Dichloromethane Solvate (1/1)","Acta Crystallographica Section C","1995","51","9","1782","1784","10.1107/S0108270195004082","","","0.71069","MoKα","","0.0568","0.0287","","0.1209","0.0724","","","","0.341","0.302","0.302","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003875","6.8923","0.0011","12.836","0.002","17.387","0.003","90","","90","","90","","1538.2","0.4","240","2","240","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-(4''-methylphenyl)(2'R,4R)-2'-bromo-2'-(2,2-dimethyl-1,3-dioxolan- 4-yl)ethanethiolate","","- C14 H17 Br O3 S -","- C14 H17 Br O3 S -","- C56 H68 Br4 O12 S4 -","4","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.0616","0.0372","","0.1059","0.0926","","","","1.071","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003876","5.584","0.002","9.042","0.003","10.902","0.003","77.06","0.03","78.75","0.02","87.98","0.03","526.1","0.3","160","2","160","2","","","","","","","","5","P 1","P 1","1","","S-(4''-methylphenyl)(2'R,4S)-2'-(benzyloxycarbonylamino)- 2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethiolate","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C22 H25 N O5 S -","1","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.049","0.0431","","0.1246","0.1158","","","","1.121","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003877","10.671","0.001","11.218","0.001","15.953","0.002","106.35","0.01","105.14","0.01","98.66","0.01","1716.3","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cs6 H14 Mo7 O31 -","- Cs6 Mo7 O31 -","- Cs12 Mo14 O62 -","2","1","BR1105","Kortz, U.; Pope, M. T.","Cs~6~[Mo~7~O~24~].7H~2~O","Acta Crystallographica Section C","1995","51","9","1717","1719","10.1107/S010827019500494X","","","0.71073","MoKα","","","0.05","","","0.132","","","","","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003878","20.569","0.008","11.3","0.006","19.179","0.007","90","0.03","96.21","0.02","90","0.04","4432","3","100","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","7,16-dihydro-2,3,6,8,11,12,15,17-octamethyldibenzo[b,i][1,4,8,11]- tetraazacyclotetradecine","","- C26 H32 N4 -","- C26 H32 N4 -","- C208 H256 N32 -","8","1","CR1112","Buzatu, D. A.; Nolan, S. P.; Stevens, E. D.","An Octamethyldibenzotetraaza[14]annulene","Acta Crystallographica Section C","1995","51","9","1855","1857","10.1107/S0108270194014708","","","0.71073","MoKα","","","0.037","","","0.044","","","","","1.911","1.911","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2003879","8.871","0.002","7.397","0.002","20.393","0.004","90","","93.83","0.02","90","","1335.2","0.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 N4 O4 -","- C9 H20 N4 O4 -","- C36 H80 N16 O16 -","4","1","CR1118","Zhou, K.-J.; Di Maio, G.; Portalone, G.; Li, S.","4-Acetamidocyclohexanone Semicarbazone Dihydrate","Acta Crystallographica Section C","1995","51","9","1844","1846","10.1107/S0108270195002137","","","0.71069","MoKα","","","0.064","","","0.066","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003880","6.2543","0.0001","6.2543","0.0001","12.332","0.0003","90","","90","","120","","417.755","0.014","295","","295","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","SrTa4O11","","- O11 Sr Ta4 -","- O11 Sr Ta4 -","- O22 Sr2 Ta8 -","2","0.166667","CR1170","Heunen, G. W. J. C.; IJdo, D. J. W.; Helmholdt, R. B.","SrTa~4~O~11~: a Rietveld Refinement Using Neutron Powder Diffraction Data","Acta Crystallographica Section C","1995","51","9","1723","1725","10.1107/S0108270195004264","","neutron","2.57167","Neutron","","0.0243","","","0.031","","","","","1.79","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003881","18.499","0.004","6.2149","0.0009","26.45","0.01","90","","103.16","0.03","90","","2961.1","1.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","2","CR1197","Marsh, R. E.","On the Structure of (13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol","Acta Crystallographica Section C","1995","51","9","1957","1958","10.1107/S0108270195006032","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003882","14.285","0.007","14.285","0.007","7.227","0.003","90","","90","","90","","1474.8","1.2","370","","370","","","","","","","","melting and slow cooling","3","I 4/m","-I 4","","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al12 F76 Pb20 -","4","0.25","DU1109","Sarraute, S.; Ravez, J.; Bravic, G.; Chasseau, D.; Abrahams, S. C.","Paraelastic Pb~5~Al~3~F~19~ at 370 K","Acta Crystallographica Section C","1995","51","9","1731","1732","10.1107/S0108270195001879","","","0.71073","MoKα","","","0.053","","","0.058","","","","","1.12","1.12","","","","","has coordinates","281832","2023-03-13","07:39:36",""
"2003883","9.526","0.002","10.194","0.002","16.391","0.004","90","","90","","90","","1591.7","0.6","293","2","293","2","","","","","","","from benzene","5","P 21 21 21","P 2ac 2ab","19","","2-(diphenylphosphine sulfide)cyclohexanone","","- C18 H19 O P S -","- C18 H19 O P S -","- C72 H76 O4 P4 S4 -","4","1","DU1112","Boukraa, M.; Jouini, T.; Barkallah, S.; Ben Akacha, A.; Zantour, H.; Baccar, B.","Diphenyl(2-oxocyclohexyl)phosphine Sulfide","Acta Crystallographica Section C","1995","51","9","1851","1853","10.1107/S0108270195001557","","","0.71069","MoKα","","0.0577","0.0503","","0.1313","0.1257","","","","1.058","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003884","6.2983","0.0003","9.5537","0.0009","10.4499","0.0006","90","","90","","90","","628.79","0.08","293","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- K4 O12 Si4 Zn2 -","- K4 O12 Si4 Zn2 -","- K8 O24 Si8 Zn4 -","2","0.25","DU1113","Hogrefe, A. R.; Czank, M.","Synthetic Dipotassium Zinc Disilicate","Acta Crystallographica Section C","1995","51","9","1728","1730","10.1107/S0108270195003052","","","0.71069","MoKα","","","0.0541","","","0.0365","","","","","6.016","6.016","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003885","8.641","0.001","8.76","0.001","24.335","0.003","90","","90","","90","","1842","0.4","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Cr0.4 Li1.14 Nb0.93 O12 P3 Sc0.67 -","- Cr0.394 Li1.5 Nb0.932 O12 P3 Sc0.674 -","- Cr3.152 Li12 Nb7.456 O96 P24 Sc5.392 -","8","1","DU1115","Rivier, S.; Angenault, J.; Couturier, J.-C.; Robert, F.; Quarton, M.","Li~1.14~Nb~0.93~Sc~0.67~Cr~0.40~(PO~4~)~3~","Acta Crystallographica Section C","1995","51","9","1735","1737","10.1107/S0108270195003088","","","0.71069","MoKα","","","0.03","","","0.033","","","","","2.54","2.54","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003886","6.7156","0.0005","9.8164","0.0007","10.098","0.0005","66.884","0.004","73.282","0.005","73.301","0.006","574.76","0.07","293","2","293","2","","","","","","","synth\`ese","5","P -1","-P 1","2","","Orthophénylènediammonium Bis(dihydrogénophosphate)","","- C6 H14 N2 O8 P2 -","- C6 H14 N2 O8 P2 -","- C12 H28 N4 O16 P4 -","2","1","DU1120","Soumhi, E. H.; Jouini, T.","Orthophénylènediammonium Bis(dihydrogénophosphate)","Acta Crystallographica Section C","1995","51","9","1883","1885","10.1107/S0108270195004173","","","0.71069","MoKα","","0.0341","0.0304","","0.0815","0.0793","","","","1.08","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003887","10.92","0.001","16.409","0.003","7.753","0.006","90","","93.89","0.03","90","","1386","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(H)N2-ethyl]CoCl~3~","Trichloro [N-(2-benzimidazolylmethyl)ethylammonium-N']cobalt(II)","","- C10 H14 Cl3 Co N3 -","- C10 H14 Cl3 Co N3 -","- C40 H56 Cl12 Co4 N12 -","4","1","FG1022","Cooley, J. A.; Kamaras, P.; Rapta, M.; Jameson, G. B.","Trichloro[(1<i>H</i>-benzimidazol-2-ylmethyl)(ethyl)ammonium-<i>N</i>^3^]cobalt(II)","Acta Crystallographica Section C","1995","51","9","1811","1813","10.1107/S0108270195003349","","","0.71073","MoKα","","0.0329","0.03","","0.0861","0.0817","","","","1.046","1.058","1.058","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003888","12.06","0.003","10.027","0.008","8.046","0.002","76.36","0.05","89.08","0.02","66.09","0.04","860.9","0.8","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H20 Cl3 N2 Na O9 Zn2 -","- C37 H16 Cl3 N2 Na O9 Zn2 -","- C37 H16 Cl3 N2 Na O9 Zn2 -","1","0.5","FG1024","Davies, P. J.; Taylor, M. R.; Wainwright, K. P.; Kobus, H. J.","Zinc(II) Chloride‒Methanol Complex of 2-[(1,3-Dihydro-1,3-dioxo-2<i>H</i>-inden-2-ylidene)amino]-1<i>H</i>-indene-1,3(2<i>H</i>)-dionate(1‒) Sodium Salt: a Complex of Ruhemann's Purple","Acta Crystallographica Section C","1995","51","9","1802","1805","10.1107/S0108270195003325","","","0.7107","MoKα","","0.058","0.048","","0.048","0.041","","","","3.9","3.624","3.624","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2003889","6.591","0.004","12.222","0.002","17.254","0.004","90","","96.78","0.03","90","","1380.2","0.9","293","","293","","","","","","","","Crystals were obtained by slow evaporation of an aqueous solution that was 0.64 M in each of zinc(II) chloride, hydrochloric acid and purine.","5","C 1 c 1","C -2yc","9","","Dichlorobis(purine)zinc(II)","","- C10 H8 Cl2 N8 Zn -","- C10 H8 Cl2 N8 Zn -","- C40 H32 Cl8 N32 Zn4 -","4","1","FG1031","Laity, H. L.; Taylor, M. R.","Dichlorobis(purine)zinc(II)","Acta Crystallographica Section C","1995","51","9","1791","1793","10.1107/S0108270195004227","","","0.71073","MoKα","","0.047","0.04","","0.034","0.033","","","","1.391","1.443","1.443","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003890","7.194","0.001","11.741","0.002","10.63","0.002","90","","97.08","0.01","90","","891","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N8 P2 Pt -","- C14 H24 N8 P2 Pt -","- C28 H48 N16 P4 Pt2 -","2","0.5","FG1042","Assefa, Z.; McBurnett, B. G.; Staples, R. J.; Fackler, Jnr, J. P.","<i>trans</i>-Dicyanobis(1,3,5-triaza-7-phosphaadamantane)platinum(II), [(TPA)~2~Pt(CN)~2~]","Acta Crystallographica Section C","1995","51","9","1742","1743","10.1107/S0108270195002915","","","0.71073","MoKα","","","0.0331","","","0.0442","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003891","11.154","0.002","15.059","0.003","14.641","0.003","90","","90.37","0.02","90","","2459.2","0.8","173","2","173","2","","","","","","","tetrahydrofuran","6","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(trimethylsilyl)ferrocenium Aluminum Tetrachloride","","- C16 H26 Al Cl4 Fe Si2 -","- C16 H26 Al Cl4 Fe Si2 -","- C64 H104 Al4 Cl16 Fe4 Si8 -","4","1","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.099","0.0522","","0.0808","0.0692","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003892","6.173","0.002","8.103","0.001","16.915","0.003","90","","95.69","0.02","90","","841.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(trimethylsilyl)ferrocene","","- C16 H26 Fe Si2 -","- C16 H26 Fe Si2 -","- C32 H52 Fe2 Si4 -","2","0.5","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.0313","0.0279","","0.0819","0.08","","","","1.054","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003893","12.19","0.002","7.466","0.002","10.839","0.002","90","","103.25","0.03","90","","960.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-Dimethylferrocene","","- C12 H14 Fe -","- C12 H14 Fe -","- C48 H56 Fe4 -","4","1","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.0724","0.0434","","0.0577","0.0523","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003894","9.126","0.001","12.631","0.001","24.532","0.004","97.32","0.01","99.59","0.01","105.46","0.01","2643.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-Diethyldithiocarbamatodiiodophenyltellurium(IV)","","- C11 H15 I2 N S2 Te -","- C11 H15 I2 N S2 Te -","- C66 H90 I12 N6 S12 Te6 -","6","3","FG1060","Husebye, S.; Kudis, S.; Lindeman, S. V.; Strauch, P.","<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV), PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~","Acta Crystallographica Section C","1995","51","9","1870","1875","10.1107/S0108270195004239","","","0.71069","MoKα","","0.0946","0.0465","","0.1411","0.1138","","","","1.076","1.221","1.221","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003895","9.9482","0.0012","10.428","0.003","11.004","0.002","66.95","0.02","65.934","0.011","75.94","0.02","954.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","cis-Bis(0.4bromo/0.6iodo)diethyldithiocarbamato-4-methoxyphenyltellurium(IV)","","- C12 H17 Br0.8 I1.2 N O S2 Te -","- C12 H17 Br0.8 I1.2 N O S2 Te -","- C24 H34 Br1.6 I2.4 N2 O2 S4 Te2 -","2","1","FG1060","Husebye, S.; Kudis, S.; Lindeman, S. V.; Strauch, P.","<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV), PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~","Acta Crystallographica Section C","1995","51","9","1870","1875","10.1107/S0108270195004239","","","0.71069","MoKα","","0.0555","0.0427","","0.1492","0.1245","","","","1.059","1.108","1.108","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003896","7.374","0.004","7.469","0.004","9.598","0.004","117.57","0.03","72.19","0.04","96.81","0.04","446","0.4","293","","","","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C12 H30 Cl2 N2 Ni O6 -","- C12 H30 Cl2 N2 Ni O6 -","- C12 H30 Cl2 N2 Ni O6 -","1","0.5","HR1050","İçbudak, H.; Yilmaz, V. T.; Howie, R. A.; Andaç, Ö.; Ölmez, H.","Bis[tris(2-hydroxyethyl)amine]nickel(II) Chloride","Acta Crystallographica Section C","1995","51","9","1759","1761","10.1107/S0108270195001600","","","0.71073","MoKα","","","0.038","","","0.044","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003897","7.046","0.002","9.919","0.003","10.392","0.003","90","","109.8","0.02","90","","683.4","0.4","295","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 N6 O2 S2 -","- C8 H12 Cu2 N6 O2 S2 -","- C16 H24 Cu4 N12 O4 S4 -","2","0.5","HU1106","Chen, Z. N.; Qiu, J.; Tang, W. X.; Yu, K. B.","A Dinuclear Copper(II) Complex Bridged by a <i>trans</i>-Oxamidate Ligand","Acta Crystallographica Section C","1995","51","9","1809","1811","10.1107/S0108270195002782","","","0.71073","MoKα","","","0.0288","","","0.0316","","","","","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003898","5.114","0.005","10.896","0.003","20.883","0.006","90","","90","","90","","1163.6","1.2","293","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","HU1117","Lyubchova, A.; Cossé-Barbi, A.; Doucet, J. P.; Robert, F.; Souron, J.-P.; Quarton, M.","Salicylaldehyde Benzoyl Hydrazone","Acta Crystallographica Section C","1995","51","9","1893","1895","10.1107/S0108270195003076","","","0.71069","MoKα","","","0.035","","","0.033","","","","","1.47","1.47","","","","","has coordinates","198480","2020-10-21","18:00:00",""
"2003899","16.381","0.005","6.111","0.001","5.896","0.001","90","","90","","90","","590.2","0.2","295","","295","","","","","","","","","4","P b c n","-P 2n 2ab","60","Lead(II) hydrogenselenite","Lead(II) bis(hydrogenselenate(IV))","","- H2 O6 Pb Se2 -","- O6 Pb Se2 -","- O24 Pb4 Se8 -","4","0.5","HU1127","Koskenlinna, M.; Valkonen, J.","Lead(II) Hydrogenselenite","Acta Crystallographica Section C","1995","51","9","1737","1739","10.1107/S0108270195003441","","","0.71073","MoKα","","","0.032","","","0.04","","","","","0.46","0.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003900","17.862","0.004","6.849","0.002","23.065","0.002","90","","102.14","0.01","90","","2758.6","1","299","1","","","","","","","","","evaporation of aqueous solution","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 As N6 O5 -","- C9 H9 As N6 O5 -","- C72 H72 As8 N48 O40 -","8","1","HU1147","Leonard, G. A.; Hunter, W. N.; Berger, B. J.; Fairlamb, A. H.","<i>p</i>-(4,6-Diamino-<i>s</i>-triazin-2-yl)aminophenylarsonic Acid Dihydrate","Acta Crystallographica Section C","1995","51","9","1953","1955","10.1107/S0108270195003453","","","1.5418","CuKα","","","0.075","","","0.098","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003901","8.311","0.001","17.111","0.001","20.5","0.002","90","","101.44","0.01","90","","2857.4","0.5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H33 O5 V Zr -","- C31.5 H33 O5 V Zr -","- C126 H132 O20 V4 Zr4 -","4","1","JZ1002","Grehl, M.; Berlekamp, M.; Erker, G.","A Nine-Membered Metallacyclic Metalloxycarbene Vanadium Complex","Acta Crystallographica Section C","1995","51","9","1772","1774","10.1107/S0108270195002435","","","0.71073","MoKα","","","0.061","","","0.091","","","","","1.268","1.268","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003902","11.783","0.001","16.365","0.004","8.981","0.001","90","","90","","90","","1731.8","0.5","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl Cr N5 O8 -","- C10 H25 Cl Cr N5 O8 -","- C40 H100 Cl4 Cr4 N20 O32 -","4","1","JZ1012","Choi, J.-H.; Suh, I.-H.; Kwak, S.-H.","[Bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''][glycylglycinato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>]chromium(III) Perchlorate Monohydrate, [Cr(C~4~H~6~N~2~O~3~)(C~6~H~17~N~3~)]ClO~4~.H~2~O","Acta Crystallographica Section C","1995","51","9","1745","1748","10.1107/S0108270195002800","","","0.71073","MoKα","","","0.0416","","","0.0416","","","","","1.4815","1.4815","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003903","12.811","0.003","10.122","0.001","13.176","0.005","90","","95.37","0.03","90","","1701.1","0.8","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Ir N O2 S -","- C17 H18 Ir N O2 S -","- C68 H72 Ir4 N4 O8 S4 -","4","1","JZ1014","Theron, M.; Basson, S. S.; Purcell, W.","(η^4^-1,5-Cyclooctadiene)(<i>N</i>-hydroxy-4-methoxy-<i>N</i>-methylthiobenzamido-<i>O</i>,<i>S</i>)iridium(I)","Acta Crystallographica Section C","1995","51","9","1750","1752","10.1107/S0108270195002666","","","0.71073","MoKα","","","0.032","","","0.032","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003904","24.699","0.002","7.343","0.001","12.748","0.002","90","","90","","90","","2312","0.5","100","2","100","2","","","","","","","ethanol","4","P c a 21","P 2c -2ac","29","","Trimethylphenyphosphoniumiodide","","- C9 H14 I P -","- C9 H14 I P -","- C72 H112 I8 P8 -","8","2","JZ1022","Schödel, H.; Näther, C.; Bock, H.","Two Trimethylphenylphosphonium Iodides","Acta Crystallographica Section C","1995","51","9","1841","1844","10.1107/S0108270194015052","","","0.71073","MoKα","","0.0343","0.0201","","0.0507","0.0481","","","","1.039","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003905","6.033","0.001","8.048","0.001","27.348","0.005","90","","91.3","0.02","90","","1327.5","0.4","100","2","100","2","","","","","","","ethanol","5","P 1 21/c 1","-P 2ybc","14","","Trimethyl(p-N,N-dimethylamino)phenylphosphoniumiodide","","- C11 H19 I N P -","- C11 H19 I N P -","- C44 H76 I4 N4 P4 -","4","1","JZ1022","Schödel, H.; Näther, C.; Bock, H.","Two Trimethylphenylphosphonium Iodides","Acta Crystallographica Section C","1995","51","9","1841","1844","10.1107/S0108270194015052","","","0.71073","MoKα","","0.0338","0.0213","","0.0555","0.0508","","","","1.024","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003906","6.846","0.001","8.076","0.001","12.741","0.002","89.99","0.01","83.09","0.01","82.77","0.01","693.67","0.17","200","2","200","2","","","","","","","dimethylsufoxide/water","5","P -1","-P 1","2","N,N'-ditosyl-p-phenylenediamine","","","- C24 H32 N2 O6 S4 -","- C24 H32 N2 O6 S4 -","- C24 H32 N2 O6 S4 -","1","0.5","JZ1032","Nagel, N.; Näther, C.; Bock, H.","<i>N</i>,<i>N</i>'-Ditosyl-<i>p</i>-phenylenediamine Bis(dimethyl sulfoxide), C~20~H~20~N~2~O~4~S~2~.2C~2~H~6~OS","Acta Crystallographica Section C","1995","51","9","1935","1937","10.1107/S0108270195004884","","","0.71073","MoKα","","0.0378","0.0316","","0.0918","0.0872","","","","1.067","1.09","1.09","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003907","8.656","0.001","11.81","0.01","13.521","0.001","78.93","0.02","82.28","0.01","86.13","0.02","1343","1.2","293","2","293","2","","","","","","","crystallized from acetonitrile","5","P -1","-P 1","2","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C68 H48 N4 O4 S4 -","2","1","JZ1033","Elmali, A.; Özbey, S.; Kendi, E.; Kabak, M.; Elerman, Y.","<i>N</i>,<i>N</i>'-[Dithiobis(<i>o</i>-phenylene)]bis(2-hydroxy-1-naphthaldimine)","Acta Crystallographica Section C","1995","51","9","1878","1880","10.1107/S010827019500285X","","","0.71069","MoKα","","0.0509","0.0459","","0.1159","0.1141","","","","2.828","3.051","3.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003908","7.27","0.001","7.076","0.004","11.227","0.001","90","","100.57","0.01","90","","567.7","0.3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Cl N2 O -","- C12 H11 Cl N2 O -","- C24 H22 Cl2 N4 O2 -","2","1","JZ1037","Moreau, S.; Metin, J.; Coudert, P.; Couquelet, J.","5-(2-Chlorobenzyl)-6-methyl-3(2<i>H</i>)-pyridazinone","Acta Crystallographica Section C","1995","51","9","1834","1836","10.1107/S0108270195002757","","","0.71069","MoKα","","","0.051","","","0.054","","","","","1.67","1.67","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003909","14.46","0.001","13.158","0.002","31.733","0.005","90","","94.13","0.01","90","","6022","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","not as in title!","","- C25 H11 Mn O13 P2 Re2 -","- C25 H10 Mn O13 P2 Re2 -","- C200 H80 Mn8 O104 P16 Re16 -","8","2","JZ1040","Flörke, U.; Haupt, H.-J.","μ-Phenylphosphido-μ-[(pentacarbonylmanganese)phenylphosphido]-bis(tetracarbonylrhenium)","Acta Crystallographica Section C","1995","51","9","1776","1778","10.1107/S0108270195003969","","","0.71073","MoKα","","0.1036","0.0548","","0.1215","0.1044","","","","1.045","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003910","13.622","0.001","13.622","0.001","36.47","0.002","90","","90","","120","","5860.7","0.7","211","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H63 Au3 B F4 O P3 -","- C27 H63 Au3 B0.5 F4 O P3 -","- C162 H378 Au18 B3 F24 O6 P18 -","6","0.333333","JZ1042","Angermaier, K.; Schmidbaur, H.","μ~3~-Oxo-tris[(triisopropylphosphine)gold(I)] Tetrafluoroborate","Acta Crystallographica Section C","1995","51","9","1793","1795","10.1107/S0108270195003787","","","0.71073","MoKα","","","0.0309","","","0.0344","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003911","23.875","0.011","22.954","0.01","11.877","0.005","90","","90","","90","","6509","5","293","","","","","","","","","","crystallization from ethanol/water","5","F d d 2","F 2 -2d","43","","","","- C16 H20 N6 O4 S -","- C17 H14 N6 O4 S -","- C272 H224 N96 O64 S16 -","16","1","KA1042","Kettmann, V.; Bozóová, A.; Rybár, A.","9,9'-Thiobis(1,2,3,4,7,8-hexahydro-7-methyl-6<i>H</i>-pyrimido[1,6-<i>a</i>]pyrimidine-6,8-dione)","Acta Crystallographica Section C","1995","51","9","1861","1864","10.1107/S0108270194000090","","","0.71073","MoKα","","","0.052","","","0.055","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003912","15.397","0.004","9.696","0.003","12.14","0.003","90","","104.43","0.02","90","","1755.2","0.8","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F3 N4 O -","- C19 H15 F3 N4 O -","- C76 H60 F12 N16 O4 -","4","1","KA1108","Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.","Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines","Acta Crystallographica Section C","1995","51","9","1829","1832","10.1107/S0108270195002848","","","1.54178","CuKα","","","0.073","","","0.071","","","","","5.4","5.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003913","13.291","0.002","16.973","0.003","8.741","0.001","90","","114.16","0.01","90","","1799.1","0.5","293","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H15 F3 N4 O -","- C19 H15 F3 N4 O -","- C76 H60 F12 N16 O4 -","4","1","KA1108","Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.","Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines","Acta Crystallographica Section C","1995","51","9","1829","1832","10.1107/S0108270195002848","","","1.54178","CuKα","","","0.053","","","0.059","","","","","6.3","6.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003914","11.918","0.004","12.296","0.003","11.193","0.005","90","","90.65","0.03","90","","1640.2","1","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N3 O2 -","- C19 H14 Cl N3 O2 -","- C76 H56 Cl4 N12 O8 -","4","1","KA1109","Karolak-Wojciechowska, J.; Kiec-Kononowicz, K.","(<i>Z</i>)-1-Ethyl-3-(4-chlorobenzylidene)-1,2,3,5-tetrahydroimidazo[2,1-<i>b</i>]quinazoline-2,5-dione","Acta Crystallographica Section C","1995","51","9","1833","1834","10.1107/S0108270195002836","","","1.54184","CuKα","","","0.072","","","0.067","","","","","4.84","4.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003915","6.453","0.002","9.997","0.002","20.114","0.004","90","","90.38","0.01","90","","1297.5","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","","","","","","- C15 H15 N O2 -","- C18.75 H18.75 N1.25 O2.5 -","- C75 H75 N5 O10 -","4","1","KA1112","Kaitner, B.; Pavlovic, G.","<i>N</i>-<i>p</i>-Tolylvanillaldimine, C~15~H~15~NO~2~","Acta Crystallographica Section C","1995","51","9","1875","1878","10.1107/S0108270195002824","","","0.7093","MolybdenumKα","","","0.048","","","0.085","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003916","7.4728","0.0014","7.0341","0.0012","12.356","0.002","90","","92.9","0.02","90","","648.7","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0316","0.0282","","0.0788","0.0762","","","","1.054","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003917","7.22","0.0013","7.6439","0.0015","12.148","0.003","90","","93.9","0.02","90","","668.9","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0303","0.0284","","0.0776","0.0756","","","","1.091","1.088","1.088","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003918","7.0866","0.0014","7.813","0.002","23.956","0.004","90","","90","","90","","1326.4","0.5","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0372","0.0285","","0.0806","0.0714","","","","1.066","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003919","7.364","0.002","7.484","0.002","24.168","0.005","90","","90","","90","","1332","0.6","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0286","0.0269","","0.0745","0.072","","","","1.035","1.03","1.03","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003920","7.9169","0.0009","9.2702","0.0006","15.9849","0.0012","90","","90","","90","","1173.15","0.18","293","1","293","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Mer(NO~2~),trans(NH~2~,NH~3~)-silver(I)- (S-alaninato)amminetrinitrocobaltate(III) Monohydrate","","- C3 H11 Ag Co N5 O9 -","- C3 H11 Ag Co N5 O9 -","- C12 H44 Ag4 Co4 N20 O36 -","4","1","KA1120","Prelesnik, B.; Andjelković, K.; Malinar, M.; Juranic, N.","Mono(aminocarboxylato)cobalt(III) Complexes Possessing Only Vicinal and Conformational Asymmetry. IV. Silver(I) <i>mer</i>-(NO~2~),<i>trans</i>-(NH~2~,NH~3~)-[(<i>S</i>)-alaninato]amminetrinitrocobaltate(III) Monohydrate","Acta Crystallographica Section C","1995","51","9","1767","1769","10.1107/S0108270195002812","","","0.71069","MoKα","","","0.035","","","0.037","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003921","7.799","0.001","11.275","0.0008","11.622","0.001","90","","90","","90","","1021.97","0.17","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","KH1020","Chai, C. L. L.; King, A. R.; Hockless, D. C. R.","<i>cyclo</i>-<i>N</i>-Acetyl-<small>L</small>-alanyl-<i>N</i>-methyl-<small>L</small>-alanyl (<i>cyclo</i>-<i>N</i>-Ac-<small>L</small>-Ala-<i>N</i>-Me-<small>L</small>-Ala)","Acta Crystallographica Section C","1995","51","9","1836","1838","10.1107/S0108270195002745","","","1.5418","CuKα","","0.0329","0.029","","0.0229","0.023","","","","","3.56","3.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003922","9.0574","0.0009","11.658","0.004","25.697","0.004","90","0.013","90","0.02","90","0.02","2713.4","1.1","130","1","130","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1) endo 2-Norborneol 2,4-Dinitrobenzoate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C112 H112 N16 O48 -","8","1","KH1023","White, J. M.; Green, A. J.","<i>endo</i>-2-Norborneol 2,4-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1905","1906","10.1107/S0108270195002393","","","0.71069","MoKα","","0.0635","0.0437","","0.1366","0.1163","","","","1.152","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003923","15.12","0.01","10.72","0.01","21.58","0.02","90","","119.23","0.1","90","","3052","5","288","","288","","","","","","","","","7","P 1 c 1","P -2yc","7","","bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^N^2^N^6^)mercury(II) tetrakis(trifluoroacetato)mercury(II) dichloromethane solvate","","- C54.7 H47.4 Cl1.4 F12 Hg2 N6 O8 -","- C55 Cl2 F12 Hg2 N6 O8 -","- C110 Cl4 F24 Hg4 N12 O16 -","2","1","LI1135","Breuer, S. W.; Small, R. W. H.","Bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^<i>N</i>^2^,<i>N</i>^6^)mercury(II) Tetrakis(trifluoroacetato)mercury(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","9","1784","1788","10.1107/S010827019500477X","","","0.7107","MoKα","","","0.049","","","0.045","","","","","1.676","1.676","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003924","6.582","0.006","7.362","0.005","12.265","0.005","90","","94.03","0.06","90","","592.9","0.7","293","2","293","2","","","","","","","Preparation by Kitajima et al. (1982)","3","P 1 21/c 1","-P 2ybc","14","","copper(II) tetrachloroaluminium","","- Al2 Cl8 Cu -","- Al2 Cl8 Cu -","- Al4 Cl16 Cu2 -","2","0.5","MD1003","Herbstein, F. H.; Kapon, M.","Re-Examination Shows that Copper(II) Tetrachloroaluminium, Cu(AlCl~4~)~2~, is Monoclinic and not Triclinic as Originally Stated","Acta Crystallographica Section C","1995","51","9","1739","1741","10.1107/S0108270195005865","","","0.71069","MoKα","","0.0883","0.0848","","0.2396","","","","","0.476","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003925","9.402","0.004","10.045","0.006","13.658","0.006","90","","106.49","0.02","90","","1236.8","1.1","293","2","293","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","cis-3-Hydroxytricyclo[7.5.0.0^3,8^]tetradec-1(9)-en-2-one","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","MU1162","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","<i>cis</i>-3-Hydroxytricyclo[7.5.0.0^3,8^]tetradec-1(9)-en-2-one","Acta Crystallographica Section C","1995","51","9","1838","1841","10.1107/S0108270195002228","","","1.54056","CuKα~1~","","0.1456","0.0544","","0.2345","0.1721","","","","1.004","1.291","1.291","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003926","17.631","0.007","11.843","0.004","6.984","0.001","90","","92.36","0.03","90","","1457","0.8","293","2","293","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,9RS,10SR,14RS)-9-acetoxy-11-oxatricyclo[8.4.0.0^2,9^]tetradec-6,7-diol","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","MU1167","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Stereochemistry of Hydroxylation Reactions on Polycyclic Pyrans","Acta Crystallographica Section C","1995","51","9","1885","1889","10.1107/S0108270195001442","","","1.54056","Cu-Kα~1~","","0.0729","0.0561","","0.1826","0.1553","","","","1.075","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003927","20.355","0.007","16.648","0.005","9.181","0.002","90","","97.14","0.04","90","","3087","1.6","293","2","293","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","(1SR,2RS,9RS,10RS,14SR)-9-acetoxy-11-oxatricyclo[8.4.0.0^2,9^]tetradec-6,7-diol monohydrate","","- C15 H26 O6 -","- C15 H26 O6 -","- C120 H208 O48 -","8","1","MU1167","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Stereochemistry of Hydroxylation Reactions on Polycyclic Pyrans","Acta Crystallographica Section C","1995","51","9","1885","1889","10.1107/S0108270195001442","","","1.54056","CuKα~1~","","0.0487","0.0374","","0.1071","0.1024","","","","1.014","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003928","11.995","0.001","11.995","0.001","16.692","0.002","90","","90","","90","","2401.6","0.4","296","","296","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","Tetraethylammonium hepta-μ3-chloro-μ3-teluro-hexachlorohexamolybdate","","- C24 H60 Cl13 Mo6 N3 Te -","- C24 Cl13 Mo6 N3 Te -","- C48 Cl26 Mo12 N6 Te2 -","2","0.125","NA1128","Ebihara, M.; Imai, T.; Kawamura, T.","Hexamolybdenum Cluster with One Telluride and Seven Chloride Capping Ligands","Acta Crystallographica Section C","1995","51","9","1743","1745","10.1107/S0108270194013466","","","0.7107","MolybdenumKα","","","0.038","","","0.043","","","","","1.52","1.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003929","20.27","0.009","20.27","0.009","12.3","0.05","90","","90","","120","","4377","18","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","cis-diammine-bisacyclovir platinum(II) chloride dihydrate","cis-diamminebis{2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one} platinum(II) chloride dihydrate","","- C16 H32 Cl2 N12 O8 Pt -","- C16 H20 Cl2 N12 O8 Pt -","- C96 H120 Cl12 N72 O48 Pt6 -","6","1","NA1142","Sinur, A.; Grabner, S.","A Platinum(II) Diammine Complex: <i>cis</i>-[Pt(C~8~H~11~N~5~O~3~)~2~(NH~3~)~2~]Cl~2~.2H~2~O","Acta Crystallographica Section C","1995","51","9","1769","1772","10.1107/S0108270195002563","","","0.71069","MoKα","","0.065","0.054","","0.066","0.056","","","","3.013","2.843","2.843","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003930","14.301","0.006","13.037","0.005","20.981","0.014","90","","90","","90","","3912","3","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H29 N4 O12 V3 -","- C8 H29 N4 O12 V3 -","- C64 H232 N32 O96 V24 -","8","1","NA1147","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate Trihydrate","Acta Crystallographica Section C","1995","51","9","1752","1754","10.1107/S0108270195002022","","","0.71069","MoKα","","","0.0568","","","0.1261","","","","","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003931","24.096","0.005","10.692","0.002","20.188","0.004","90","","98.36","0.02","90","","5145.9","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","The tetraethylammonium salt of the Eu(dipic)3","tris(tetraethylammonium)tris(dipicolinato)europium(III) tetrahydrate","","- C45 H77 Eu N6 O16 -","- C45 H77 Eu N6 O16 -","- C180 H308 Eu4 N24 O64 -","4","1","NA1151","Brayshaw, P. A.; Harrowfield, J. M.; Sobolev, A. N.","A Strongly Luminescent Organic-Solvent-Soluble Salt of the Tris(dipicolinato)europium(III) Trianion","Acta Crystallographica Section C","1995","51","9","1799","1802","10.1107/S0108270195002897","","","0.71073","MoKα","","0.0673","0.0417","","0.0975","0.086","","","","1.064","1.108","1.108","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003932","22.935","0.003","8.746","0.001","11.702","0.001","90","","95.66","0.01","90","","2335.9","0.5","298","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Ca N5 O13 -","- C18 H21 Ca N5 O13 -","- C72 H84 Ca4 N20 O52 -","4","1","NA1155","","Bis(2,4-dinitrophenolato)(triethanolamine)calcium(II)","Acta Crystallographica C","1995","51","","1788","1791","10.1107/S0108270195003714","","","0.71073","MoKα","","","0.063","","","0.057","","","","","1.178","1.178","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003933","8.892","0.001","8.614","0.001","18.094","0.001","90","","102.62","0.01","90","","1352.4","0.2","293","","","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 O2 P -","- C15 H15 O2 P -","- C60 H60 O8 P4 -","4","1","NA1158","Wieczorek, W.","(2-Methoxyphenyl)(phenyl)vinylphosphine Oxide","Acta Crystallographica Section C","1995","51","9","1849","1851","10.1107/S0108270195002642","","","1.54184","CuKα","","","0.04","","","0.046","","","","","2.41","2.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003934","4.233","0.001","4.233","0.001","31.039","0.009","90","","90","","90","","556.2","0.2","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I 41/a m d","-I 4bd 2","","","","","- Sc Sn2 -","- Sc Sn2 -","- Sc8 Sn16 -","8","","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.078","0.065","","0.125","0.124","","","","4.57","5.6","5.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003935","8.889","0.001","19.274","0.002","6.177","0.002","90","","90","","90","","1058.3","0.4","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I b a m","-I 2 2c","","","","","- Pb5 Sc6 -","- Pb5 Sc6 -","- Pb20 Sc24 -","4","0.25","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.08","0.054","","0.146","0.139","","","","0.92","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003936","10.002","0.002","14.274","0.003","21.976","0.004","90","","90","","90","","3137.5","1.1","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2R,3R)-2-(tert-Butoxycarbonylamino)-3-(tert- butyldiphenylsilyloxy)butylidene]benzylamine N-oxide","","- C32 H42 N2 O4 Si -","- C32 H42 N2 O4 Si -","- C128 H168 N8 O16 Si4 -","4","1","NA1167","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","(<i>Z</i>)-<i>N</i>-[(2<i>R</i>,3<i>R</i>)-2-(<i>tert</i>-Butoxycarbonylamino)-3-(<i>tert</i>-butyldiphenylsiloxy)butylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1995","51","9","1949","1950","10.1107/S0108270195004343","","","0.71073","MoKα","","0.1279","0.0568","","0.1593","0.1148","","","","1.078","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003937","24.032","0.004","8.109","0.002","24.014","0.003","90","","98.47","0.01","90","","4628.7","1.5","294","1","","","","","","","","","synthesized by the authors, see text","5","C 1 2/c 1","-C 2yc","15","3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c]quinolin-4(5H)-one cis-isomer","(3aS^*^,9bS^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c] quinolin-4(5H)-one","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C192 H192 N32 O16 S16 -","16","2","NA1185","Dao, D. C.; Ferguson, G.","(3a<i>S</i>^*^,9b<i>S</i>^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-<i>c</i>]quinolin-4(5<i>H</i>)-one","Acta Crystallographica Section C","1995","51","9","1823","1825","10.1107/S0108270195007311","","","0.71069","MolybdenumKα","","0.0617","0.0367","","0.1134","0.1062","","","","1.065","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003938","12.193","0.009","12.821","0.002","6.685","0.001","90","","90","","90","","1045","0.8","298","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cd N2 -","- C8 H18 Cd N2 -","- C32 H72 Cd4 N8 -","4","0.5","OH1068","Wang, X.; Sun, H.; Sun, X.; You, X.; Huang, X.","Me~2~Cd(dabco)","Acta Crystallographica Section C","1995","51","9","1754","1756","10.1107/S0108270194012291","","","0.71069","MoKα","","","0.03","","","0.039","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003939","27.571","0.004","5.062","0.001","17.284","0.003","90","","127.63","0.01","90","","1910.4","0.6","291","","","","","","","","","","aqueous solution","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag N O4 -","- C10 H6 Ag N O4 -","- C80 H48 Ag8 N8 O32 -","8","1","PA1128","Jaber, F.; Charbonnier, F.; Faure, R.","Silver(I) <i>N</i>-Phthaloylglycinate","Acta Crystallographica Section C","1995","51","9","1765","1767","10.1107/S0108270195002447","","","0.7107","MoKα","","","0.017","","","0.019","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003940","8.521","0.003","15.367","0.006","16.892","0.006","90","","90","","90","","2211.9","1.4","293","","293","","","","","","","","synth\`ese chimique","4","P 21 21 21","P 2ac 2ab","19","","1-mésityl-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] oxadiazolo [4,5-a] [1,5] benzodiazépine","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","PA1141","Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.","1-Mésityl-3a-méthyl-5-phényl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-<i>a</i>][1,5]benzodiazépine","Acta Crystallographica Section C","1995","51","9","1898","1900","10.1107/S0108270194010358","","","0.7107","MoKα","","","0.056","","","0.063","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003941","8.112","0.002","10.142","0.002","10.033","0.002","90","","74.49","0.03","90","","795.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-Phenylethyl)-3-aza-10-oxatricyclo[5.2.1.0exp1,5]dec-8-ene-4-oxo6-carboxylic methyl ester","","- C18 H19 N O4 -","- C23 H19 -","- C46 H38 -","2","1","PA1167","Pèpe, G.; Zylber, J.; Tubul, A.; Brun, P.","Methyl 4-Oxo-<i>N</i>-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0^1,5^]dec-8-ene-6-carboxylate","Acta Crystallographica Section C","1995","51","9","1915","1917","10.1107/S0108270195002460","","","1.5418","CuKα","","0.0362","0.0362","","0.0362","0.0362","","","","0.52","0.52","0.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003942","19.95","0.009","7.048","0.003","7.65","","81.26","0.03","86.34","0.03","88.78","0.04","1060.9","0.7","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H13 N7 S -","- C26 H13 N7 S -","- C52 H26 N14 S2 -","2","1","PA1168","Viossat, B.; Tomas, A.; Nguyen-Huy Dung; Mettey, Y.; Vierfond, J.-M.","12-Imino-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazine‒7,7,8,8-Tétracyano-<i>p</i>-quinodiméthane, IBB‒TCNQ","Acta Crystallographica Section C","1995","51","9","1896","1898","10.1107/S0108270195002472","","","0.71069","MoKα","","","0.042","","","0.044","","","","","0.82","0.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003943","11.576","0.002","10.6933","0.0007","11.582","0.002","90","","101.448","0.009","90","","1405.2","0.4","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","4","P 1 21/a 1","-P 2yab","14","","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","PA1170","Dupont, L.; Masereel, B.; Lambert, D.; Scriba, G.","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","Acta Crystallographica Section C","1995","51","9","1901","1903","10.1107/S0108270195001661","","","1.5418","CuKα","","0.0467","0.0347","","0.1063","0.1025","","","","1.073","1.192","1.192","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003944","9.636","0.002","19.634","0.003","8.215","0.002","90","","107.45","0.02","90","","1482.7","0.6","295","","","","","","","","","","slow evaporation of water solution","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C56 H64 N8 O20 S4 -","4","1","PA1174","Ehlinger, N.; Perrin, M.","4-(4-Hydroxy-3,5-dimethylphenylazo)benzenesulfonic Acid","Acta Crystallographica Section C","1995","51","9","1846","1849","10.1107/S0108270195002496","","","1.54056","CuKα","","","0.0486","","","0.1098","","","","","0.886","0.886","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003945","14.586","0.002","8.583","0.001","12.186","0.002","90","","101.83","0.02","90","","1493.2","0.4","295","","","","","","","","","","slow evaporation of water solution","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C56 H64 N8 O20 S4 -","4","1","PA1174","Ehlinger, N.; Perrin, M.","4-(4-Hydroxy-3,5-dimethylphenylazo)benzenesulfonic Acid","Acta Crystallographica Section C","1995","51","9","1846","1849","10.1107/S0108270195002496","","","1.54056","CuKα","","","0.0393","","","0.1077","","","","","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003946","9.5563","0.0003","13.8791","0.0008","10.929","0.0008","90","","111.648","0.002","90","","1347.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzamido-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide","","- C13 H10 N4 O3 S -","- C13 H10 N4 O3 S -","- C52 H40 N16 O12 S4 -","4","1","PA1176","Dupont, L.; De Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","3-Benzamido-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","9","1903","1905","10.1107/S0108270195002459","","","1.5418","CuKα","","0.0391","0.0318","","0.0874","0.085","","","","1.039","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003947","7.484","0.001","10.735","0.001","7.1191","0.0009","98.37","0.01","109.59","0.01","105.98","0.01","499.84","0.12","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N2 O6 -","- C9 H8 N2 O6 -","- C18 H16 N4 O12 -","2","1","PT1001","Jedrzejas, M. J.; Luo, M.; Singh, S.; Brouillette, W. J.; Air, G. M.","4-(Acetylamino)-3-hydroxy-5-nitrobenzoic Acid","Acta Crystallographica Section C","1995","51","9","1910","1912","10.1107/S0108270195003258","","","1.5418","CuKα","","","0.0517","","","0.0647","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003948","7.532","0.001","3.992","0.001","9.728","0.001","90","","90","","90","","292.5","0.09","293","2","","","","","","","","","see text","4","P m n 21","P 2ac -2","31","","","","- B2 Cs Nb O6 -","- B2 Cs Nb O6 -","- B4 Cs2 Nb2 O12 -","2","0.5","SH1104","Becker, P.; Bohatý, L.; Fröhlich, R.","CsNbOB~2~O~5~: the Basic Structure Type of the Borates <i>AM</i>OB~2~O~5~ (<i>A</i> = K, Rb, Cs, Tl; <i>M</i> = Nb, Ta)","Acta Crystallographica Section C","1995","51","9","1721","1723","10.1107/S0108270195002617","","","0.71073","MoKα","","","0.0241","","","0.0661","","","","","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003949","9.161","0.001","9.161","0.001","10.678","0.002","90","","90","","90","","896.1","0.2","293","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- K2 Ni O10 P2 W -","- K2 Ni O10 P2 W -","- K8 Ni4 O40 P8 W4 -","4","0.5","SH1105","Peuchert, U.; Bohatý, L.; Fröhlich, R.","K~2~NiWO~2~(PO~4~)~2~: a New Structure Type Related to KTiOPO~4~ (KTP)","Acta Crystallographica Section C","1995","51","9","1719","1721","10.1107/S0108270195004185","","","0.71073","MoKα","","0.0143","0.0173","","0.0325","0.033","","","","","1.117","1.117","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003950","13.199","0.003","6.108","0.001","20.971","0.004","90","","92.53","0.02","90","","1689","0.6","158","","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentacylo[6.4.0^1,5^.0^1,8^.0^7,11^.0^10,12^]dodecan-6-yl 3,5-dintrobenzoate","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","SZ1009","Lautens, M.; Lough, A. J.; Tam, W.","An Unusual <i>trans</i>-Fused Cyclopentane Ring System at 158 K","Acta Crystallographica Section C","1995","51","9","1944","1946","10.1107/S0108270195003490","","","0.71073","MoKα","","0.0758","0.0503","","0.1391","0.1303","","","","1.043","1.191","1.191","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003951","15.885","0.002","5.6895","0.0004","14.889","0.002","90","","93.359","0.009","90","","1343.3","0.3","299","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 O11 S2 -","- C24 H28 O11 S2 -","- C48 H56 O22 S4 -","2","0.5","SZ1011","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Younathan, E. S.","3,4-Di-<i>O</i>-acetyl-2,5-anhydro-1,6-di-<i>O</i>-(<i>p</i>-tolylsulfonyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1995","51","9","1921","1923","10.1107/S0108270195003519","","","1.54184","CuKα","","","0.03","","","0.041","","","","","2.295","2.295","","","","","has coordinates","198471","2020-10-21","18:00:00",""
"2003952","14.14","0.006","9.586","0.003","16.118","0.007","90","","94.48","0.02","90","","2178.1","1.5","298","","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium hydrogen 2-sulfobenzoate dihydrate","","- C19 H33 N O7 S -","- C19 H33 N O7 S -","- C76 H132 N4 O28 S4 -","4","1","TA1017","Ng, S. W.","Dicyclohexylammonium 2-Carboxybenzenesulfonate Dihydrate","Acta Crystallographica Section C","1995","51","9","1853","1855","10.1107/S0108270195003118","","","0.71073","MoKα","","0.1205","0.0575","","0.1509","0.1188","","","","1.009","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003953","11.8709","0.0008","13.625","0.002","13.8088","0.0014","88.684","0.009","75.199","0.007","72.618","0.007","2057.3","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","tetrabutylbis[(N,N-diethylthiocarbamylthio)acetato]distannoxane dimer","","- C60 H120 N4 O10 S8 Sn4 -","- C60 H120 N4 O10 S8 Sn4 -","- C60 H120 N4 O10 S8 Sn4 -","1","0.5","TA1020","Ng, S. W.; Kumar Das, V. G.","Tetrabutylbis[(<i>N</i>,<i>N</i>-diethylthiocarbamoylthio)acetato]distannoxane Dimer","Acta Crystallographica Section C","1995","51","9","1774","1776","10.1107/S0108270195003143","","","0.71073","MoKα","","0.0944","0.0501","","0.1133","0.0948","","","","1.025","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003954","19.582","0.002","7.668","0.002","14.138","0.002","90","","111.229","0.009","90","","1978.8","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cl4 N3 Ru -","- C12 H26 Cl4 N3 Ru -","- C48 H104 Cl16 N12 Ru4 -","4","0.5","TA1023","Gheller, S. F.; Heath, G. A.; Hockless, D. C. R.","Tetraethylammonium Salt of <i>trans</i>-Bis(acetonitrile)tetrachlororuthenate(III), a Notable Optical Chromophore","Acta Crystallographica Section C","1995","51","9","1805","1807","10.1107/S0108270195003623","","","1.5418","CuKα","","0.0397","0.025","","0.0231","0.022","","","","","1.73","1.73","","","","","has coordinates","198475","2020-10-21","18:00:00",""
"2003955","9.132","0.002","12.248","0.002","13.622","0.003","95.72","0.02","105.6","0.02","89.91","0.02","1459.7","0.5","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 N Os P3 -","- C26 H36 Cl2 N Os P3 -","- C52 H72 Cl4 N2 Os2 P6 -","2","1","TA1024","Yeomans, B. D.; Heath, G. A.; Hockless, D. C. R.","(Acetonitrile)-<i>trans</i>-dichloro-<i>mer</i>-tris[(dimethyl)phenylphosphine]osmium(III); the Kinetically Controlled Electrogenerated Isomer","Acta Crystallographica Section C","1995","51","9","1807","1809","10.1107/S0108270195003544","","","0.7107","MoKalpha","","0.0609","0.044","","0.0622","0.061","","","","","2.59","2.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003956","15.209","0.003","25.479","0.004","6.26","0.002","90","","90.01","0.02","90","","2425.8","1","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","1","VJ1012","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. I. A Peptidyl α-Keto Ester Derivative","Acta Crystallographica Section C","1995","51","9","1923","1925","10.1107/S0108270195003891","","","1.5418","CuKα","","","0.229","","","0.079","","","","","1.24","1.24","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003957","8.819","0.001","6.656","0.004","20.006","0.004","90","","93.34","0.01","90","","1172.3","0.8","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H23 N3 O4 S -","- C25 H23 N3 O4 S -","- C50 H46 N6 O8 S2 -","2","1","VJ1013","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. II. A Peptidyl α-Keto Thiazole Derivative","Acta Crystallographica Section C","1995","51","9","1925","1927","10.1107/S0108270195003908","","","1.5418","CuKα","","","0.194","","","0.075","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003958","10.226","0.001","9.365","0.001","12.073","0.002","90","","95.58","0.01","90","","1150.7","0.3","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H25 N3 O4 S -","- C25 H25 N3 O4 S -","- C50 H50 N6 O8 S2 -","2","1","VJ1014","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. III. A Peptidyl α-Keto Benzothiazole Derivative","Acta Crystallographica Section C","1995","51","9","1927","1929","10.1107/S010827019500391X","","","1.5418","CuKα","","","0.2202","","","0.0735","","","","","1.121","1.121","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003959","14.98","0.002","6.05","0.002","13.31","0.002","90","","101.21","0.07","90","","1183.3","0.5","295","","","","","","","","","","Synthesized locally","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N2 O5 S -","- C10 H12 N2 O5 S -","- C40 H48 N8 O20 S4 -","4","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0615","","","0.0567","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003960","13.716","0.003","12.374","0.003","7.992","0.004","97.66","0.03","83.12","0.03","95.82","0.02","1329.6","0.8","297","","","","","","","","","","Synthesized","6","P -1","-P 1","2","","","","- C20 H28 Cu N4 O13 S2 -","- C20 H28 Cu N4 O13 S2 -","- C40 H56 Cu2 N8 O26 S4 -","2","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0574","","","0.0599","","","","","1.13","1.13","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2003961","15.665","0.001","16.352","0.003","17.252","0.001","90","","95.725","0.007","90","","4397.1","0.9","298","3","","","","","","","","","synthesis","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H32 Cl2 N4 Ni O8 -","- C14 H32 Cl2 N4 Ni O8 -","- C112 H256 Cl16 N32 Ni8 O64 -","8","2","AB1193","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>RS</i>)-5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","10","2018","2020","10.1107/S0108270195004458","","","0.71073","MoKα","","","0.048","","","0.058","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003962","11.203","0.002","12.368","0.002","14.849","0.003","90","","99.8","0.2","90","","2027.4","1.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","2","AB1212","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Reddy, M. M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). IV. An α-Epoxy Steroid","Acta Crystallographica Section C","1995","51","10","2102","2105","10.1107/S0108270195004409","","","0.71073","MoKα","","","0.05","","","0.053","","","","","0.992","0.992","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003963","10.881","0.002","19.772","0.003","21.563","0.003","90","","90","","90","","4639","1.3","298","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C48 H48 Cu2 N4 O10 -","- C24 H24 Cu N2 O5 -","- C192 H192 Cu8 N16 O40 -","8","1","AB1221","Hökelek, T.; Necefouglu, H.; Balcı, M.","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>')dicopper(II)","Acta Crystallographica Section C","1995","51","10","2020","2023","10.1107/S0108270195000618","","","0.71069","MoKα","","","0.0453","","","0.0486","","","","","0.36","0.36","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003964","7.414","0.002","11.981","0.002","22.826","0.006","90","","90","","90","","2027.6","0.8","290","","","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","2","AB1254","Rajnikant; Watkin, D.; Tranter, G.","3-Nitrobiphenyl","Acta Crystallographica Section C","1995","51","10","2071","2073","10.1107/S0108270195003593","","","0.71073","MoKα","","","0.045","","","0.0571","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003965","9.845","0.003","12.445","0.002","14.0154","0.0013","90","","92.154","0.012","90","","1716","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5a-p-Tolyl-5a,5b,6,7,8,9,9a,11-octahydroisoindolo [2,1-a]- benzimidazol-10-one","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","AB1256","Sillanpää, R.; Csende, F.; Stájer, G.","5a-<i>p</i>-Methylphenyl-5a,5b,6,7,8,9,9a,10-octahydro-5<i>H</i>-isoindolo[2,1-<i>a</i>]benzimidazol-10-one","Acta Crystallographica Section C","1995","51","10","2169","2171","10.1107/S0108270195005920","","","0.71069","MoKα","","0.1107","0.0441","","0.1164","0.0913","","","","1.025","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003966","8.313","0.005","9.717","0.005","12.151","0.004","70.86","0.04","88.56","0.04","82.11","0.05","918.3","0.8","293","2","293","2","","","","","","","synthesis","4","P -1","-P 1","2","pyruvic acid oxime","2-hydroxyiminopropanoic acid","","- C3 H5 N O3 -","- C3 H5 N O3 -","- C24 H40 N8 O24 -","8","4","AB1262","Maurin, J. K.","Resonance-Assisted Hydrogen Bonds Between Oxime and Carboxyl Groups. II. The Tetrameric Structure of Pyruvic Acid Oxime","Acta Crystallographica Section C","1995","51","10","2111","2113","10.1107/S0108270195005932","","","1.54178","CuKα","","0.0639","0.0393","","0.1139","0.1038","","","","1.016","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003967","19.746","0.005","12.403","0.003","7.254","0.002","90","","100.57","0.02","90","","1746.4","0.8","122","2","122","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","O-Methyl-THPO hydrochloride","O-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5c]pyridin-3-ol hydrochloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C56 H88 Cl8 N16 O16 -","8","1","AB1263","Frydenvang, K.; Hansen, L. M.; Jensen, B.","<i>O</i>-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5-<i>c</i>]pyridin-3-ol Hydrochloride, <i>O</i>-Me-THPO.HCl","Acta Crystallographica Section C","1995","51","10","2053","2057","10.1107/S010827019500446X","","","0.71073","MoKα","","0.1088","0.05","","0.1559","0.1239","","","","1.068","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003968","11.101","0.002","8.6795","0.0007","14.648","0.002","90","","100.457","0.011","90","","1387.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Ferrocenylquinoxaline","","- C18 H14 Fe N2 -","- C18 H14 Fe N2 -","- C72 H56 Fe4 N8 -","4","1","AB1268","Ferguson, G.; Glidewell, C.; Scott, J. P.","2-Ferrocenylquinoxaline","Acta Crystallographica Section C","1995","51","10","1989","1991","10.1107/S0108270195004094","","","0.7107","MoKα","","0.0598","0.0347","","0.0962","0.0901","","","","1.042","1.167","1.167","","","","","has coordinates","192281","2020-10-21","18:00:00",""
"2003969","9.065","0.002","10.858","0.002","14.118","0.003","89.59","0.03","71.94","0.03","83.63","0.03","1312.4","0.5","173","2","173","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Quinazolino[2,3-a]benzisoquinoline-2,14-dione","","- C19 H10 N2 O2 -","- C19 H10 N2 O2 -","- C76 H40 N8 O8 -","4","2","AB1270","Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.","Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide","Acta Crystallographica Section C","1995","51","10","2157","2161","10.1107/S0108270195005749","","","0.71069","MoKα","","0.1197","0.0696","","0.1982","0.1679","","","","1.043","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003970","9.354","0.002","14.13","0.003","11.923","0.002","90","","111.28","0.03","90","","1468.4","0.6","173","2","173","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","N-(o-amidophenyl)-1,8-naphthoyleneimide","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","AB1270","Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.","Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide","Acta Crystallographica Section C","1995","51","10","2157","2161","10.1107/S0108270195005749","","","0.71069","MoKα","","0.0746","0.0475","","0.1357","0.1194","","","","1.03","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003971","26.114","0.005","9.859","0.002","13.273","0.003","90","","108.48","0.03","90","","3241","1.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N6 O4 -","- C15 H22 N6 O5 -","- C120 H176 N48 O40 -","8","1","AS1159","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","8-Amino-7-(2-hydroxy-3-morpholinopropyl)theophylline","Acta Crystallographica Section C","1995","51","10","2121","2123","10.1107/S0108270195003374","","","1.54184","CuKα","","","0.0667","","","0.0667","","","","","3.43","3.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003972","3.86","0.01","12.771","0.006","10.994","0.004","90","","93.93","0.08","90","","540.7","1.4","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 -","- C16 H6 O2 -","- C32 H12 O4 -","2","0.5","AS1161","Kingsford-Adaboh, R.; Kashino, S.","Disordered Structure of 2-Methylanthraquinone","Acta Crystallographica Section C","1995","51","10","2094","2096","10.1107/S0108270195003842","","","0.71073","MoKα","","","0.061","","","0.058","","","","","2.21","2.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003973","10.008","0.001","12.409","0.001","6.821","0.001","90","","99.5","0.01","90","","835.48","0.16","293","2","293","2","","","","","","","see prep","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diazafluoren-9-one","","- C11 H6 N2 O -","- C11 H6 N2 O -","- C44 H24 N8 O4 -","4","1","AS1169","Fun, H.-K.; Sivakumar, K.; Zhu, D.-R.; You, X.-Z.","4,5-Diazafluoren-9-one","Acta Crystallographica Section C","1995","51","10","2076","2078","10.1107/S0108270195003854","","","0.71073","MoKα","","0.051","0.0439","","0.1324","0.1277","","","","1.057","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003974","7.815","0.001","8.116","0.001","24.972","0.002","90","","90","","90","","1583.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","14-methyl-7,14-dihydrodibenzo[a,j]acridine","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","AS1170","Ray, J. K.; Roy, B. C.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","14-Methyl-7,14-dihydrodibenzo[<i>a</i>,<i>j</i>]acridine","Acta Crystallographica Section C","1995","51","10","2083","2085","10.1107/S0108270195004860","","","0.71073","MoKα","","0.0465","0.0332","","0.1447","0.0924","","","","1.044","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003975","21.811","0.007","10.177","0.001","16.006","0.002","90","","99.91","0.02","90","","3499.8","1.3","298","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","2","AS1171","Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Bis[4-(dimethylamino)phenyl](<i>N</i>-methylcarbamoyl)amine, C~18~H~24~N~4~O","Acta Crystallographica Section C","1995","51","10","2198","2200","10.1107/S0108270195006196","","","1.54184","CuKα","","","0.055","","","0.068","","","","","2.85","2.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003976","10","0.003","25.705","0.006","7.323","0.002","90","","107.84","0.03","90","","1791.9","0.9","299","2","","","","","","","","","crystallization from CS~2~-ethanol","4","P 1 21 1","P 2yb","4","","","","- C33 H56 P2 S4 -","- C33 H56 P2 S4 -","- C66 H112 P4 S8 -","2","1","AS1173","Tani, K.; Onouchi, J.; Yamagata, T.; Kataoka, Y.","(1<i>S</i>,2<i>S</i>)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS~2~ and (±)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane","Acta Crystallographica Section C","1995","51","10","2073","2076","10.1107/S0108270195004033","","","1.54178","CuKα","","","0.047","","","0.048","","","","","0.771","0.771","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003977","29.558","0.002","9.5439","0.0005","11.039","0.001","90","","101.157","0.009","90","","3055.2","0.4","294","1","","","","","","","","","crystallization from hexanes","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H56 P2 -","- C31 H56 P2 -","- C124 H224 P8 -","4","0.5","AS1173","Tani, K.; Onouchi, J.; Yamagata, T.; Kataoka, Y.","(1<i>S</i>,2<i>S</i>)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS~2~ and (±)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane","Acta Crystallographica Section C","1995","51","10","2073","2076","10.1107/S0108270195004033","","","1.54178","CuKα","","","0.054","","","0.05","","","","","2.578","2.578","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003978","18.25","0.004","16.424","0.004","12.639","0.002","90","","113.56","0.02","90","","3472.6","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-N,N-dimethylaminobenzaldehyde-4,5-diazafluorene-9-hydrazone monohydrate.","","- C20 H19 N5 O -","- C20 H19 N5 O -","- C160 H152 N40 O8 -","8","1","AS1177","Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","<i>p</i>-Dimethylaminobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone Monohydrate","Acta Crystallographica Section C","1995","51","10","2078","2080","10.1107/S0108270195004446","","","0.71073","MoKα","","0.0681","0.0399","","0.0994","0.0914","","","","0.879","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003979","10.431","0.002","13.477","0.002","15.016","0.004","109.56","0.02","101.56","0.02","109.14","0.01","1761.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","S-benzyl-β-N-(dimethylaminophenyl)methylendithiocarbazate.","","- C17 H19 N3 S2 -","- C17 H19 N3 S2 -","- C68 H76 N12 S8 -","4","2","AS1178","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Benzyl 3-(4-Dimethylaminobenzylidene)dithiocarbazate","Acta Crystallographica Section C","1995","51","10","2080","2083","10.1107/S0108270195004549","","","0.71069","MoKα","","0.0657","0.0464","","0.1382","0.1278","","","","1.049","1.169","1.169","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003981","9.374","0.002","11.217","0.001","12.015","0.002","90","","104.03","0.02","90","","1225.7","0.4","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","AS1181","Banwell, M. G.; Bridges, V. S.; Hockless, D. C. R.","1-[2(<i>Z</i>)-Bromo-3-phenyl-2-propenyl]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2128","2129","10.1107/S0108270195005579","","","1.5418","CuKα","","0.0397","0.035","","0.0397","0.038","","","","","2.41","2.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003982","11.263","0.001","18.507","0.002","7.449","0.001","90","","110.379","0.009","90","","1455.5","0.3","90","","90","","","","","","","","synthesis","2","C 1 2/c 1","-C 2yc","15","","(Z)-6,6'-dimethylbiindanylidene","","- C20 H20 -","- C20 H20 -","- C80 H80 -","4","0.5","AS1182","Harada, J.; Ogawa, K.; Tomoda, S.","`Stiff' <i>cis</i>-Stilbenes. (<i>Z</i>)-6,6'-Dimethyl-1,1'-biindanylidene and (<i>Z</i>)-4,4',7,7'-Tetramethyl-1,1'-biindanylidene","Acta Crystallographica Section C","1995","51","10","2125","2127","10.1107/S0108270195005440","","","1.54184","CuKα","","0.057","0.052","","0.066","0.066","","","","3.11","3.275","3.275","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003983","11.604","0.003","7.754","0.002","18.146","0.002","90","","102.71","0.01","90","","1592.7","0.6","90","","90","","","","","","","","synthesis","2","C 1 2/c 1","-C 2yc","15","","(Z)-4,4',7,7'-tetramethyl-1,1'-biindanylidene","","- C22 H24 -","- C22 H24 -","- C88 H96 -","4","0.5","AS1182","Harada, J.; Ogawa, K.; Tomoda, S.","`Stiff' <i>cis</i>-Stilbenes. (<i>Z</i>)-6,6'-Dimethyl-1,1'-biindanylidene and (<i>Z</i>)-4,4',7,7'-Tetramethyl-1,1'-biindanylidene","Acta Crystallographica Section C","1995","51","10","2125","2127","10.1107/S0108270195005440","","","1.54184","CuKα","","0.056","0.054","","0.073","0.073","","","","2.474","2.52","2.52","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003984","12.119","0.001","7.821","0.001","12.107","0.001","90","","105.73","0.01","90","","1104.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-9-Methyl-1,5-dioxofuro[2,3-b]decalin","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","AS1184","Ray, J. K.; Kar, G. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","<i>trans</i>-4,4a,6,7,8,8a-Hexahydro-8a-methylnaphtho[2,3-<i>b</i>]furan-5,9(5<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","10","2090","2092","10.1107/S010827019500535X","","","0.71073","MoKα","","0.06","0.0424","","0.1209","0.1135","","","","0.999","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003985","9.8472","0.0005","12.2385","0.0006","23.5157","0.001","90","","101.292","0.004","90","","2779.1","0.2","302","","","","","","","","","","Evaporation from H~2~O","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H16 Co N7 S3 -","- C7 H16 Co N7 S3 -","- C56 H128 Co8 N56 S24 -","8","1","BK1060","Liu, Y.-H.; Fronczek, F. R.; Watkins, S. F.; Shaffer, G. W.; Musselman, R. L.","<i>trans</i>-Bis(isothiocyanato)bis(ethylenediamine)cobalt(III) Thiocyanate","Acta Crystallographica Section C","1995","51","10","1992","1994","10.1107/S010827019500518X","","","0.71073","MoKα","","","0.024","","","0.032","","","","","1.677","1.677","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003986","9.566","0.001","9.566","0.001","12.042","0.002","90","","90","","120","","954.3","0.2","291","","","","","","","","","","crystallized from hexane","6","P 63/m","-P 6c","176","","","","- C11 H15 Cl Fe2 O6 Si3 -","- C9 Cl3 Fe2 O6 Si3 -","- C18 Cl6 Fe4 O12 Si6 -","2","0.166667","BK1089","Simons, R. S.; Tessier, C. A.","Diiron Complex with Three Bridging Silyl Substituents","Acta Crystallographica Section C","1995","51","10","1997","1998","10.1107/S0108270195002873","","","0.71073","MoKα","","","0.0351","","","0.0429","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003987","5.8981","0.0006","9.235","0.001","11.101","0.002","97.85","0.01","90.38","0.01","98.87","0.01","591.59","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cl2 N6 O9 -","- C3 H11 Cl2 N6 O9 -","- C6 H22 Cl4 N12 O18 -","2","1","BK1103","Martin, A.; Pinkerton, A. A.","Melaminium Diperchlorate Hydrate","Acta Crystallographica Section C","1995","51","10","2174","2177","10.1107/S0108270195003921","","","0.71073","MoKα","","0.029","0.026","","","0.035","","","","","3.35","3.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003988","8.052","0.002","5.488","0.002","19.308","0.002","90","","95.39","0.01","90","","849.4","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 Ni O6 -","- C14 H18 N4 Ni O6 -","- C28 H36 N8 Ni2 O12 -","2","0.5","BK1125","Okabe, N.; Tamaki, K.","Dimethanolbis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section C","1995","51","10","2004","2005","10.1107/S0108270195005816","","","0.71069","MoKα","","","0.033","","","0.049","","","","","2.31","2.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003989","15.243","0.006","15.384","0.006","29.716","0.009","90","","90","","90","","6968","4","120","0.2","120","0.2","","","","","","","see prep","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2α,3β,23-triacetoxyurs-12,18-dien-28-oate","","- C37 H54 O8 -","- C37 H54 O8 -","- C296 H432 O64 -","8","2","BM1010","Cox, P. J.; Durham, D. G.; Liu, X.; Richards, R. M. E.","Methyl 2α,3β,23-Triacetoxyurs-12,18-dien-28-oate","Acta Crystallographica Section C","1995","51","10","2135","2137","10.1107/S0108270195005774","","","0.71069","MoKα","","0.1029","0.0452","","0.0891","0.0747","","","","0.644","0.898","0.898","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003990","9.9075","0.0007","12.4566","0.0013","16.047","0.002","90","","90","","90","","1980.4","0.4","294","1","294","1","","","","","","","see prep","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,4aS,10aR)-5-acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6- oxo-2H-pyrano[3,2-g]pteridin-3,4-diyl diacetate","","- C17 H22 N4 O8 -","- C17 H22 N4 O8 -","- C68 H88 N16 O32 -","4","1","BM1014","Low, J. N.; Cadoret, E.; Ferguson, G.; López, M. D.; Quijano, M. L.; Sánchez, A.; Nogueras, M.","A Triacetyl Derivation of a Pyrano[3,2-<i>g</i>]pteridine","Acta Crystallographica Section C","1995","51","10","2141","2143","10.1107/S0108270195005956","","","0.71073","MolybdenumKα","","0.082","0.042","","0.058","0.052","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003991","9.561","0.002","5.557","0.002","6.179","0.002","90","","98.85","0.02","90","","324.38","0.17","296","","","","","","","","","","grown from melt composition of BaNaBO~3~","4","C 1 2/m 1","-C 2y","12","","","","- B Ba Na O3 -","- B Ba Na O3 -","- B4 Ba4 Na4 O12 -","4","0.5","BR1082","Tu, J.-M.; Keszler, D. A.","BaNaBO~3~","Acta Crystallographica Section C","1995","51","10","1962","1964","10.1107/S010827019400750X","","","0.71069","MoKα","","","0.033","","","0.04","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003992","10.9547","0.0009","8.4281","0.0007","18.962","0.002","90","","90.314","0.007","90","","1750.7","0.3","150","","150","","","","","","","","from silicate melt","4","P 1 21/m 1","-P 2yb","11","cesium-lithium phyllosilicate","cesium-lithium phyllosilicate'","","- Cs1.33 Li0.67 O5 Si2 -","- Cs1.33333 Li0.666667 O5 Si2 -","- Cs16 Li8 O60 Si24 -","12","3","BR1107","Veldman, N.; Spek, A. L.; Supèr, H. T. J.; de Jong, B. H. W. S.","Caesium‒Lithium Phyllosilicate, Cs~1.33~Li~0.67~Si~2~O~5~","Acta Crystallographica Section C","1995","51","10","1972","1975","10.1107/S0108270195005257","","","0.71073","MoKα","","0.0452","0.0394","","0.115","0.144","","","","1.13","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003993","10.099","0.003","15.04","0.004","9.917","0.002","90","","98.05","0.02","90","","1491.4","0.7","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cu N6 O6 -","- C8 H24 Cu N6 O6 -","- C32 H96 Cu4 N24 O24 -","4","0.5","DE1004","Narayanan, B.; Bhadbhade, M. M.","Non-Thermochromic Bis(<i>N</i>,<i>N</i>-dimethylethylenediamine)copper(II) Dinitrate","Acta Crystallographica Section C","1995","51","10","2016","2018","10.1107/S0108270195004859","","","0.71073","MoKα","","","0.03","","","0.055","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003994","24.122","0.003","13.321","0.002","7.509","0.001","90","","101.6","0.01","90","","2363.6","0.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C88 H88 N24 S16 -","8","1","DU1107","Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A.","2-Méthyl-7-phényl-3,5-dithioxo-3,4,5,6-tétrahydro-2<i>H</i>-1,2,4-triazépine","Acta Crystallographica Section C","1995","51","10","2066","2068","10.1107/S0108270195001314","","","0.71069","MoKα","","","0.0327","","","0.0317","","","","","3.73","3.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003995","7.8067","0.0006","12.3221","0.001","10.4078","0.001","90","","111.174","0.007","90","","933.59","0.14","293","2","293","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","","Potassium Yttrium Tetrametaphosphate","","- K O12 P4 Y -","- K O12 P4 Y -","- K4 O48 P16 Y4 -","4","0.5","DU1117","Hamady, A.; Jouini, T.; Driss, A.","KYP~4~O~12~","Acta Crystallographica Section C","1995","51","10","1970","1972","10.1107/S0108270195002381","","","0.7106","MoKα","","0.0298","0.0264","","0.0661","0.0648","","","","1.117","1.138","1.138","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003996","12.326","0.003","7.088","0.002","12.365","0.003","90","","110.08","0.02","90","","1014.6","0.5","293","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cd4 Ge S6 -","- Cd4 Ge S6 -","- Cd16 Ge4 S24 -","4","1","DU1119","Julien-Pouzol, M.; Jaulmes, S.","Redétermination de la Structure du Sulfure de Cadmium et de Germanium, Cd~4~GeS~6~","Acta Crystallographica Section C","1995","51","10","1966","1968","10.1107/S0108270195003763","","","0.71069","MoKα","","","0.0407","","","0.0508","","","","","0.28","0.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003997","8.849","0.002","15.53","0.003","10.422","0.003","90","","108.04","0.02","90","","1361.8","0.6","293","2","293","2","","","","","","","Stenborn & Ludwig (1993b)","6","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato-N,N')(methyl)(triphenylphosphine)rhodium(III)","","- C27 H32 N4 O4 P Rh -","- C27 H32 N4 O4 P Rh -","- C54 H64 N8 O8 P2 Rh2 -","2","1","FG1053","Potočňák, I.; Dunaj-Jurčo, M.; Ludwig, M.; Steinborn, D.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(methyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1995","51","10","1999","2001","10.1107/S0108270195004240","","","0.71069","MoKα","","0.0313","0.0202","","0.1229","0.0496","","","","0.981","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003998","6.155","0.001","32.871","0.005","9.27","0.001","90","","100.87","0.01","90","","1841.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N2 O Se2 -","- C8 H7 N2 O Se2 -","- C64 H56 N16 O8 Se16 -","8","2","FG1061","Parvez, M.; Boeré, R. T.; Moock, K. H.","A Dimer of 4-(4-Methoxyphenyl)-1,2,3,5-diselenadiazole","Acta Crystallographica Section C","1995","51","10","2118","2121","10.1107/S0108270195004252","","","0.71069","MoKα","","","0.053","","","0.053","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003999","19.244","0.007","19.244","0.007","9.651","0.002","90","","90","","120","","3095.2","1.7","293","1","293","1","","","","","","","Synthesised by Gleiter et al, 1984","4","R -3 :H","-R 3","148","3,7-bis(tert-Butyl)-1,5,2,4,6,8-dithiatetrazocine","","","- C10 H18 N4 S2 -","- C10 H18 N4 S2 -","- C90 H162 N36 S18 -","9","0.5","FG1068","Parvez, M.; Boeré, R. T.; Derrick, S.; Moock, K. H.","3,7-Di-<i>tert</i>-butyl-1,5,2,4,6,8-dithiatetrazocine","Acta Crystallographica Section C","1995","51","10","2116","2118","10.1107/S010827019500521X","","","0.71069","MoKα","","0.0711","0.0384","","0.1339","0.1141","","","","0.952","0.984","0.984","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004000","9.992","0.001","13.743","0.002","14.885","0.002","90","","91.35","0.01","90","","2043.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[tricarbonyl(tri-isopropyl phosphite)cobalt] dichloromethane solvate","","- C25 H44 Cl2 Co2 O12 P2 -","- C25 H42 Cl1.98 Co2 O12 P2 -","- C50 H84 Cl3.96 Co4 O24 P4 -","2","0.5","FG1073","Farrar, D. H.; Lough, A. J.; Poë, A. J.; Stromnova, T. A.","Bis[tricarbonyl(triisopropyl phosphite)cobalt](<i>Co</i>—<i>Co</i>) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","10","2008","2010","10.1107/S0108270195005014","","","0.71073","MoKα","","0.1494","0.0472","","0.1428","0.107","","","","1.005","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004002","9.036","0.001","19.834","0.001","12.16","0.001","90","","100.81","0.01","90","","2140.6","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N8 O2 S2 -","- C14 H22 Cl2 N8 O2 S2 -","- C56 H88 Cl8 N32 O8 S8 -","4","1","HR1053","Urtiaga, M. K.; Arriortua, M. I.; García-Tojal, J.; Rojo, T.","Pyridine-2-carbaldehyde Thiosemicarbazone Hydrochloride Monohydrate, 2C~7~H~9~N~4~S^+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","10","2172","2174","10.1107/S0108270195005324","","","0.71073","MoKα","","","0.064","","","0.1631","","","","","1.113","1.113","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2004003","10.497","0.006","8.405","0.004","17.17","0.01","90","","95.59","0.03","90","","1507.7","1.4","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","1","HU1097","Ahmet, M. T.; Miller, J. R.; Osborne, A. G.; Warmsley, J. F.","2,4-Diphenylquinoline and its Sterically Hindered Derivative 3-Methyl-2,4-diphenylquinoline","Acta Crystallographica Section C","1995","51","10","2105","2108","10.1107/S0108270195002794","","","0.71073","MoKα","","","0.0349","","","0.0359","","","","","0.253","0.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004004","8.273","0.002","10.248","0.003","11.113","0.002","111.87","0.02","103.61","0.01","101.35","0.02","806.5","0.4","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N -","- C22 H17 N -","- C44 H34 N2 -","2","1","HU1097","Ahmet, M. T.; Miller, J. R.; Osborne, A. G.; Warmsley, J. F.","2,4-Diphenylquinoline and its Sterically Hindered Derivative 3-Methyl-2,4-diphenylquinoline","Acta Crystallographica Section C","1995","51","10","2105","2108","10.1107/S0108270195002794","","","0.71073","MoKα","","","0.06","","","0.0631","","","","","0.478","0.478","","","","","has coordinates","198482","2020-10-21","18:00:00",""
"2004005","5.274","0.001","12.087","0.001","20.053","0.002","90","","90","","90","","1278.3","0.3","296","2","296","2","","","","","","","SIGMA Chemical Co.","4","P b c a","-P 2ac 2ab","61","DL- PROLINE MONOHYDRATE","DL- PROLINE MONOHYDRATE","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C40 H88 N8 O24 -","8","1","HU1113","Padmanabhan, S.; Suresh, S.; Vijayan, M.","<small>DL</small>-Proline Monohydrate","Acta Crystallographica Section C","1995","51","10","2098","2100","10.1107/S0108270195003465","","","0.71068","MoKα","","0.0475","0.0391","","0.1107","0.1066","","","","1.049","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004006","12.563","0.003","14.083","0.004","15.308","0.003","90","","102.17","0.02","90","","2647.5","1.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyano-2-(2,3,6,7-tetramethoxy-10-diethylaminomethylphenanthr-9-yl)pyrrolidine","","- C29 H37 N3 O4 -","- C29 H37 N3 O4 -","- C116 H148 N12 O16 -","4","1","HU1121","Kabaleeswaran, V.; Rajan, S. S.; Thiruvalluvar, A.; Parthasarathi, V.","2-(10-Diethylaminomethyl-2,3,6,7-tetramethoxy-9-phenanthrylmethyl)-1-pyrrolidinecarbonitrile","Acta Crystallographica Section C","1995","51","10","2189","2192","10.1107/S0108270195003428","","","1.5418","CuKα","","","0.067","","","0.072","","","","","1.8","1.8","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004007","3.8437","0.0003","3.8437","0.0003","12.688","0.0015","90","","90","","90","","187.45","0.03","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","strontium lanthanum gallate","strontium lanthanum gallate","","- Ga La O4 Sr -","- Ga La O4 Sr -","- Ga2 La2 O8 Sr2 -","2","0.0625","JZ1003","Britten, J. F.; Dabkowska, H. A.; Dabkowski, A. B.; Greedan, J. E.; Campbell, J. L.; Teesdale, W. J.","Czochralski-Grown SrLaGaO~4~","Acta Crystallographica Section C","1995","51","10","1975","1977","10.1107/S0108270194011820","","","0.56086","AgKα","","0.0324","0.0272","","0.0679","0.0662","","","","1.156","1.187","1.187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004008","8.544","0.003","13.193","0.001","13.616","0.001","90","","90.23","0.02","90","","1534.8","0.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stilbene-carbamate 1","4-[2-(4'-nitrophenyl)ethenyl]phenylcarbamic acid ethyl ester","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","JZ1028","Soto Bustamante, E. A.; Hanemann, T.; Haase, W.; Svoboda, I.; Fuess, H.","Two New Stilbene Carbamates","Acta Crystallographica Section C","1995","51","10","2192","2196","10.1107/S0108270195004847","","","0.71069","MoKα","","0.0555","","","0.1369","","","","","1.116","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004009","8.607","0.002","33.918","0.008","11.43","0.002","90","","90.54","0.02","90","","3336.6","1.2","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stilbene-carbamate 2","4-[2-(2',4'-dinitrophenyl)ethenyl]phenylcarbamic acid ethyl ester","","- C17 H15 N3 O6 -","- C17 H15 N3 O6 -","- C136 H120 N24 O48 -","8","2","JZ1028","Soto Bustamante, E. A.; Hanemann, T.; Haase, W.; Svoboda, I.; Fuess, H.","Two New Stilbene Carbamates","Acta Crystallographica Section C","1995","51","10","2192","2196","10.1107/S0108270195004847","","","0.71069","MoKα","","0.0802","","","0.2022","","","","","1.044","1.011","1.011","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004010","12.38","0.01","10.11","0.01","11.44","0.01","123.2","0.1","77.9","0.1","100","0.1","1168","2","286","","288","","","","","","","","","5","P -1","-P 1","2","","bis(tetraphenylphosphonium) tetraazidodimethylstannate(II)","","- C50 H46 N12 P2 Sn -","- C50 H46 N12 P2 Sn -","- C50 H46 N12 P2 Sn -","1","0.5","JZ1036","Halfpenny, J.","Bis(tetraphenylphosphonium) Tetraazidodimethylstannate(IV)","Acta Crystallographica Section C","1995","51","10","2044","2046","10.1107/S0108270195005269","","","0.7107","MoKα","","","0.038","","","0.038","","","","","0.427","0.427","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004011","15.305","0.004","3.8628","0.0004","7.467","0.002","90","","105.34","0.04","90","","425.72","0.18","293","1","293","1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tantal(IV)oxiddiiodid","","- I2 O Ta -","- I2 O Ta -","- I8 O4 Ta4 -","4","0.5","JZ1041","Ruck, M.","TaOI~2~: Eine zentrosymmetrische Variante der NbOI~2~-Struktur","Acta Crystallographica Section C","1995","51","10","1960","1962","10.1107/S0108270195003799","","","0.71073","MoKα","","0.0894","0.0467","","0.0614","0.0539","","","","1.006","1.079","1.079","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004012","6.19","0.001","12.278","0.001","14.11","0.001","110.79","0.01","99.18","0.01","103.87","0.01","937.3","0.2","296","","","","","","","","","","see text","6","P -1","-P 1","2","","","","- C16 H22 Au O P Si -","- C16 H22 Au O P Si -","- C32 H44 Au2 O2 P2 Si2 -","2","1","JZ1043","Bauer, A.; Schier, A.; Schmidbaur, H.","(Methyldiphenylphosphine)(trimethylsiloxy)gold(I)","Acta Crystallographica Section C","1995","51","10","2030","2032","10.1107/S0108270195003775","","","0.71073","MoKα","","","0.0277","","","0.0303","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004013","14.397","0.001","17.432","0.001","8.535","0.001","90","","112.6","0.01","90","","1977.5","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N4 O5 -","- C20 H22 Cu0.5 N4 O4.5 -","- C80 H88 Cu2 N16 O18 -","4","0.5","JZ1045","Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.","Heptacoordinate Cu^II^ in <i>catena</i>-Poly[aquabis(benzimidazole-<i>N</i>^3^)copper(II)-μ-adipato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section C","1995","51","10","1985","1987","10.1107/S0108270195005968","","","1.54184","CuKα","","","0.044","","","0.118","","","","","1.037","1.037","","","","","has coordinates,has disorder","192020","2020-10-21","18:00:00",""
"2004014","6.724","0.001","8.721","0.001","18.692","0.003","90","","90","","90","","1096.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cu N2 O5 -","- C10 H10 Cu N2 O5 -","- C40 H40 Cu4 N8 O20 -","4","1","JZ1046","Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.","<i>catena</i>-Poly[aqua(benzimidazole-<i>N</i>^3^)copper(II)-μ-malonato-<i>O</i>,<i>O</i>'':<i>O</i>']","Acta Crystallographica Section C","1995","51","10","1987","1989","10.1107/S0108270195004707","","","1.54184","CuKα","","","0.0462","","","0.047","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004015","6.225","0.002","9.369","0.002","10.794","0.002","87.54","0.02","73.81","0.02","83.7","0.02","600.9","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N2 O2 Si2 -","- C24 H34 N2 O2 Si2 -","- C24 H34 N2 O2 Si2 -","1","0.5","JZ1048","Pohl, E.; Herbst-Irmer, R.; Huhn, T.; Groth, U.","A Diaza-<i>cyclo</i>-tetradecadiene‒Bis(pyrido-silafuran) Ring System","Acta Crystallographica Section C","1995","51","10","2145","2147","10.1107/S0108270195005117","","","0.71073","MoKα","","0.062","0.0563","","0.1609","0.1506","","","","1.098","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004016","10.817","0.005","12.62","0.004","11.502","0.004","90","","91.44","0.02","90","","1569.6","1","293","","293","","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","KA1116","Judas, N.; Kaitner, B.; Mestrovic, E.","3,3-Dibenzylpentane-2,4-dione, C~19~H~20~O~2~","Acta Crystallographica Section C","1995","51","10","2123","2125","10.1107/S0108270195004690","","","0.7093","MolybdenumKα","","","0.032","","","0.043","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004017","11.683","0.002","12.388","0.003","15.978","0.003","75.62","0.03","86","0.03","65.12","0.03","2030.5","0.9","295","","","","","","","","","","see text","4","P -1","-P 1","2","","","","- C48 H24 Gd N13 -","- C48 H24 Gd N13 -","- C96 H48 Gd2 N26 -","2","1","KA1117","Janczak, J.; Kubiak, R.","Gadolinium(III) Bicyclic Phthalocyanine","Acta Crystallographica Section C","1995","51","10","2039","2042","10.1107/S0108270195005300","","","0.71073","MoKα","","","0.047","","","0.068","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004018","10.293","0.012","14.21","0.03","15.6","0.03","90","0.02","90","0.05","90","0.06","2282","7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","KA1122","Weber, H. P.; Ettmayer, P.; Hübner, M.; Gstach, H.","(3<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Benzyl-4-hydroxy-3-[1(<i>S</i>)-(1,1-dimethylethoxycarbonylamino)-2-phenylethyl]pyrrolidin-2-one","Acta Crystallographica Section C","1995","51","10","2139","2141","10.1107/S010827019500504X","","","1.54184","CuKα","","","0.068","","","0.069","","","","","3.113","3.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004019","9.065","0.001","21.295","0.003","21.976","0.003","90","","98.669","0.001","90","","4193.8","0.9","296","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Cl Co2 La O20 P6 -","- C22 H50 Cl Co2 La O20 P6 -","- C88 H200 Cl4 Co8 La4 O80 P24 -","4","1","KH1012","Cho, I. Y.; Yeo, H. J.; Jeong, J. H.; Song, C. E.","Di(aqua)bis[(η^5^-cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']lanthanum(III) Chloride","Acta Crystallographica Section C","1995","51","10","2035","2037","10.1107/S0108270195000473","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.068","1.068","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004020","7.037","0.001","7.645","0.001","13.445","0.001","90","","90","","90","","723.31","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydrazinium L-tartrate","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C16 H40 N8 O24 -","4","1","KH1026","Fun, H.-K.; Sivakumar, K.; Jiang, Y.-Z.; Sun, J.; Zhou, Z.-Y.","Hydrazinium <small>L</small>-Tartrate","Acta Crystallographica Section C","1995","51","10","2085","2087","10.1107/S0108270195005488","","","0.71073","MoKα","","0.0363","0.0314","","0.0811","0.0791","","","","0.989","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004021","9.082","0.002","10.778","0.002","11.088","0.003","76.93","0.01","83.41","0.01","80.78","0.01","1040.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","7-dimethylamino-4-methylcoumarin","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","2","KH1033","Yip, B.-C.; Yaw, O.-L.; Ong, L.-H.; Fun, H.-K.; Sivakumar, K.","Coumarin 311","Acta Crystallographica Section C","1995","51","10","2087","2089","10.1107/S0108270195005476","","","0.71073","MoKα","","0.0658","0.0523","","0.1688","0.1688","","","","1.116","1.241","1.241","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004022","5.425","0.001","17.618","0.002","12.173","0.002","90","","97.07","0.02","90","","1154.6","0.3","293","","","","","","","","","","synthesis and recrystallization","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","KH1036","Wong, W.-T.; Lee, S.-M.","2-(Phenylmethylthio)benzaldehyde","Acta Crystallographica Section C","1995","51","10","2137","2139","10.1107/S0108270195005981","","","0.71073","MoKα","","","0.038","","","0.062","","","","","1.912","1.912","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004023","27.511","0.005","6.666","0.003","17.351","0.003","90","","115.3","0.03","90","","2876.8","1.6","296","","296","","","","","","","","synthesized at UMIST","4","C 1 2/c 1","-C 2yc","15","","Ethyl-6,7-bis(trifluoromethyl)isocumarin-3-carboxylate","","- C14 H8 F6 O4 -","- C14 H8 F6 O4 -","- C112 H64 F48 O32 -","8","1","LI1134","Abubakar, A. B.; Pritchard, R. G.; Suliman, N. N. E.; Tipping, A. E.","Ethyl 6,7-Bis(trifluoromethyl)isocoumarin-3-carboxylate: Formed by a Novel Diels‒Alder Cycloaddition Involving Two Different α,β-Unsaturated Esters","Acta Crystallographica Section C","1995","51","10","2100","2102","10.1107/S0108270195004781","","","0.71069","MoKα","","","0.068","","","0.042","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004024","9.426","0.002","17.744","0.004","12.137","0.002","90","","102.04","0.03","90","","1985.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromodichloromethylphenylmercury","","","- C7 H5 Br Cl2 Hg -","- C7 H5 Br1.002 Cl1.998 Hg -","- C56 H40 Br8.016 Cl15.984 Hg8 -","8","2","MD1001","Bachman, R. E.; Maughon, B. R.; McCord, D. J.; Whitmire, K. H.; Billups, W. E.","(Bromodichloromethyl)phenylmercury","Acta Crystallographica Section C","1995","51","10","2033","2035","10.1107/S0108270195004501","","","0.71073","MoKα","","0.1367","0.0467","","0.0957","0.0738","","","","1.037","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004025","8.127","0.005","9.952","0.002","9.992","0.003","72.17","0.02","76.76","0.03","68.31","0.03","708.7","0.5","293","","","","","","","","","","recrystallized from chloroform","5","P -1","-P 1","2","","","","- C14 H12 I N Te -","- C14 H12 I N Te -","- C28 H24 I2 N2 Te2 -","2","1","MU1134","Hamor, T. A.; Maslakov, A. G.; McWhinnie, W. R.","1-Iodo-2-<i>p</i>-tolyl-1-tellura-2-azaindene","Acta Crystallographica Section C","1995","51","10","2062","2064","10.1107/S0108270194010802","","","0.71069","MoKα","","","0.0278","","","0.0382","","","","","0.67","0.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004026","15.967","0.001","15.967","0.001","15.348","0.004","90","","90","","90","","3912.9","1.1","296","","296","","","","","","","","","7","I 41/a :2","-I 4ad","88","","poly[bis-{μ~2~-(bromo)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')platinum(II)]","","- C10 H20 Br2 Cu2 N2 Pt S4 -","- C10 Br2 Cu2 N2 Pt0.5 S4 -","- C80 Br16 Cu16 N16 Pt4 S32 -","8","0.5","MU1152","Tokoro, K.; Ebihara, M.; Kawamura, T.","(Cu<i>X</i>)~<i>n~</i> Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~<i>X</i>~2~] (<i>X</i> = Br, Cl)","Acta Crystallographica Section C","1995","51","10","2010","2013","10.1107/S0108270195001855","","","0.7107","MolybdenumKα","","","0.045","","","0.041","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004027","15.835","0.002","15.835","0.002","15.037","0.003","90","","90","","90","","3770.5","1","296","","296","","","","","","","","","7","I 41/a :2","-I 4ad","88","","poly[bis-{μ~2~-(chloro)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')-platinum(II)]","","- C10 H20 Cl2 Cu2 N2 Pt S4 -","- C10 Cl2 Cu2 N2 Pt0.5 S4 -","- C80 Cl16 Cu16 N16 Pt4 S32 -","8","0.5","MU1152","Tokoro, K.; Ebihara, M.; Kawamura, T.","(Cu<i>X</i>)~<i>n~</i> Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~<i>X</i>~2~] (<i>X</i> = Br, Cl)","Acta Crystallographica Section C","1995","51","10","2010","2013","10.1107/S0108270195001855","","","0.7107","MolybdenumKα","","","0.038","","","0.037","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004028","17.55","0.012","11.75","0.008","18.531","0.009","90","","91.52","0.04","90","","3820","4","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4,7,10,13-pentaoxa-16,19-dithiacyclohenicosane sesquihydrate","","- C14 H31 O6.5 S2 -","- C14 H31 O6.5 S2 -","- C112 H248 O52 S16 -","8","2","MU1168","Blake, A. J.; Gould, R. O.; Harris, S. G.; Parsons, S.; Radek, C.; Schröder, M.","1,4,7,10,13-Pentaoxa-16,19-dithiacyclohenicosane Sesquihydrate at 150 K","Acta Crystallographica Section C","1995","51","10","2186","2189","10.1107/S0108270195005142","","","0.71073","Mo-Kα","","0.1352","0.0714","","0.2805","0.1766","","","","1.097","1.172","1.172","","","","","has coordinates,has disorder","194562","2020-10-21","18:00:00",""
"2004029","10.859","0.002","18.443","0.003","15.299","0.005","90","","92.66","0.02","90","","3060.7","1.3","293","2","293","2","","","","","","","see below","6","P 1 21/n 1","-P 2yn","14","","Tris(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C22 H37 N3 O S6 Te -","- C22 H37 N3 O S6 Te -","- C88 H148 N12 O4 S24 Te4 -","4","1","MU1172","Husebye, S.; Lindeman, S. V.","Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~","Acta Crystallographica Section C","1995","51","10","2152","2157","10.1107/S0108270195005154","","","0.71069","MoKα","","0.1063","0.0328","","0.1631","0.0849","","","","1.093","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004030","11.1827","0.0007","16.0827","0.0015","17.383","0.0013","108.3","0.007","100.623","0.006","96.12","0.006","2871.6","0.4","293","2","293","2","","","","","","","see below","5","P -1","-P 1","2","","Tris(diethyldithiocarbamato)phenyltellurium(IV)","","- C21 H35 N3 S6 Te -","- C21 H35 N3 S6 Te -","- C84 H140 N12 S24 Te4 -","4","2","MU1172","Husebye, S.; Lindeman, S. V.","Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~","Acta Crystallographica Section C","1995","51","10","2152","2157","10.1107/S0108270195005154","","","0.71069","MoKα","","0.0814","0.0327","","0.1085","0.0797","","","","1.066","1.118","1.118","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004031","17.067","0.007","8.425","0.003","9.597","0.004","90","","90","","90","","1379.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(3S,4R,7S,8R,9R)-4-methyl-7-(2-propyl)-4,5,6,7,8,9-hexahydro-2-oxo- 3-benzofuranoic acid","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","MU1174","Adovasio, V.; Nardelli, M.; Chelucci, G.; Saba, A.","Configuration and Conformation of (3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>)-4-Methyl-7-(2-propyl)-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-3-benzofurancarboxylic Acid","Acta Crystallographica Section C","1995","51","10","2166","2169","10.1107/S0108270195005361","","","1.54178","Cu-Kα","","0.0977","0.038","","0.1298","0.0891","","","","0.817","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004032","6.922","0.001","12.297","0.001","6.922","0.001","90","","113.85","0.01","90","","538.89","0.13","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 Cu N6 O8 -","- C6 H8 Cu N6 O8 -","- C12 H16 Cu2 N12 O16 -","2","0.5","MU1175","Simonsen, O.; la Cour, A.","A Copper‒Nitromalonamide Complex","Acta Crystallographica Section C","1995","51","10","2006","2008","10.1107/S0108270195005270","","","0.71073","MoKα","","0.031","0.027","","0.027","0.027","","","","7.287","7.678","7.678","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004033","11.103","0.004","13.223","0.007","17.079","0.006","90","","95.29","0.04","90","","2496.8","1.8","296","","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Mn N3 O4 -","- C29 H24 Mn N3 O4 -","- C116 H96 Mn4 N12 O16 -","4","1","MU1177","Xiong, R.-G.; You, X.-Z.; Wu, Q.-J.; Huang, X.-Y.","Tris(8-quinolinolato-<i>N</i>,<i>O</i>)manganese(III) Ethanol Solvate","Acta Crystallographica Section C","1995","51","10","1978","1980","10.1107/S0108270195005373","","","0.71069","MoKα","","","0.064","","","0.069","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004034","10.668","0.001","14.687","0.002","18.82","0.002","90","","90","","90","","2948.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-phenyl-6,7,8,9-tetrahydro-[1,2,4]triazolo-[4,3-a]thieno[3,2-e]pyrimidin- 5(4H)-one.","","- C17 H14 N4 O S -","- C17 H13.4 N4 O S -","- C136 H107.2 N32 O8 S8 -","8","1","MU1178","Velavan, R.; Sivakumar, K.; Pathak, U. S.; Jain, K. S.; Singh, S.; Fun, H.-K.","4-Phenyl-6,7,8,9-tetrahydro-[1]benzothieno[3,2-<i>e</i>][1,2,4]triazolo[4,3-<i>a</i>]pyrimidin-5(4<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2092","2094","10.1107/S0108270195005129","","","0.71073","MoKα","","0.0459","0.0341","","0.0996","0.0938","","","","1.037","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004035","6.85","0.004","12.852","0.005","15.537","0.005","90","","96.33","0.04","90","","1359.5","1.1","291","","","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Au B Cl2 F4 N2 -","- C10 H8 Au B Cl2 F4 N2 -","- C40 H32 Au4 B4 Cl8 F16 N8 -","4","1","MU1181","McInnes, E. J. L.; Welch, A. J.; Yellowlees, L. J.","2,2'-Bipyridinedichlorogold(III) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","10","2023","2025","10.1107/S0108270195005099","","","0.71073","MoKα","","","0.0437","","","0.0592","","","","","1.284","1.284","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004036","30.195","0.004","30.195","0.004","14.871","0.002","90","","90","","120","","11742","3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","Tetrameric copper(II) complex of 6-hydroxy-1-phenyl-3-methyl-4-azahexa-3- en-1-one","","- C48 H52 Cu4 N4 O8 -","- C48 H52 Cu4 N4 O8 -","- C432 H468 Cu36 N36 O72 -","9","1","MU1182","Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z.","Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one","Acta Crystallographica Section C","1995","51","10","1980","1982","10.1107/S0108270195005634","","","0.71073","MoKα","","0.0566","0.0473","","0.1342","0.1294","","","","1.036","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004037","10.2314","0.0009","12.1988","0.0013","12.4854","0.0006","89.937","0.006","102.916","0.006","111.827","0.007","1404.2","0.2","298","","298","2","","","","","","","","5","P -1","-P 1","2","","Bromotriphenyl(diphenylcyclopropenone)lead","","- C33 H25 Br O Pb -","- C33 H25 Br O Pb -","- C66 H50 Br2 O2 Pb2 -","2","1","MU1189","Ng, S. W.","Bromo(diphenylcyclopropenone)triphenyllead","Acta Crystallographica Section C","1995","51","10","2042","2044","10.1107/S0108270195005397","","","0.71073","MoKα","","0.1276","0.0545","","0.1069","0.0846","","","","1.025","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004038","7.45","0.002","13.184","0.002","10.388","0.001","90","","100.87","0.01","90","","1002","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd(Sacch)~2~(NH~3~)~4~","Tetra-amminebis(1,2-benzisothiazol-3(2H)-one 1,1-dioxide)-N-cadmium","","- C14 H20 Cd N6 O6 S2 -","- C14 H20 Cd N6 O6 S2 -","- C28 H40 Cd2 N12 O12 S4 -","2","0.5","NA1152","Pascual, I.","Tetraamminebis(saccharinato-<i>N</i>)cadmium","Acta Crystallographica Section C","1995","51","10","2028","2030","10.1107/S0108270195002903","","","0.71073","MoKα","","0.2006","0.0651","","0.1208","0.0908","","","","1.036","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004039","49.34","0.01","10.675","0.002","9.372","0.002","90","","98.22","0.02","90","","4885.6","1.7","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","C 1 c 1","C -2yc","9","","1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]- 1H-benzimidazol-2-amine","","- C28 H31 F N4 O -","- C28 H31 F N4 O -","- C224 H248 F8 N32 O8 -","8","2","NA1156","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","1-[(4-Fluorophenyl)methyl]-<i>N</i>-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl}-1<i>H</i>-benzimidazol-2-amine (Astemizole)","Acta Crystallographica Section C","1995","51","10","2132","2135","10.1107/S0108270195004331","","","1.54184","CuKα","","0.0547","0.0396","","0.1225","0.1065","","","","1.054","1.067","1.067","","","","","has coordinates","198442","2020-10-21","18:00:00",""
"2004040","6.139","0.003","9.231","0.005","13.273","0.004","90","","97.26","0.05","90","","746.1","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N S2 -","- C6 H9 N S2 -","- C24 H36 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.036","","","0.044","","","","","1.356","1.356","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004041","5.359","0.002","10.433","0.005","16.812","0.006","90","","91.49","0.04","90","","939.6","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N S2 -","- C8 H13 N S2 -","- C32 H52 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.036","","","0.0431","","","","","0.793","0.793","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004042","8.629","0.003","12.282","0.006","8.844","0.003","90","","98.02","0.04","90","","928.1","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N S2 -","- C8 H13 N S2 -","- C32 H52 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.406","1.406","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004043","13.544","0.003","6.8416","0.0008","14.2204","0.0006","90","","94.044","0.008","90","","1314.4","0.3","150","2","150","2","","","","","","","Chemical synthesis","5","P 1 21/a 1","-P 2yab","14","","trimethyl[(trimethylstannyl)methyl]ammoniumiodide","","- C7 H20 I N Sn -","- C7 H20 I N Sn -","- C28 H80 I4 N4 Sn4 -","4","1","NA1164","Cox, P. J.; Wardell, J. L.","Trimethyl[(trimethylstannyl)methyl]ammonium Iodide","Acta Crystallographica Section C","1995","51","10","2037","2039","10.1107/S0108270195004495","","","0.71069","MoKα","","0.0395","0.034","","0.096","0.086","","","","0.92","0.979","0.979","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004044","10.184","0.002","13.362","0.001","16.429","0.001","90","","90","","90","","2235.6","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","NA1165","Puliti, R.; De Rosa, S.; Mattia, C. A.","Studies on Avarol Derivatives. 2',5'-Diacetylavarol from <i>Dysidea Avara</i>","Acta Crystallographica Section C","1995","51","10","2163","2166","10.1107/S0108270195004720","","","1.54056","CuKα","","","0.047","","","0.055","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004045","32.885","0.003","8.983","0.002","19.043","0.002","90","","101.49","0.01","90","","5512.7","1.5","208","2","208","2","","","","","","","[TcNCl~2~(Me~2~PhP)~3~] + NaEt~2~dtp","7","C 1 2/c 1","-C 2yc","15","","Dichloro(O,O'-diethyldithiophosphato-S,S')- bis(dimethylphenylphosphine)technetium(III)","","- C20 H32 Cl2 O2 P3 S2 Tc -","- C20 H32 Cl2 O2 P3 S2 Tc -","- C160 H256 Cl16 O16 P24 S16 Tc8 -","8","1","NA1169","Abram, U.; Abram, S.; Dilworth, J. R.","<i>trans</i>-Dichloro(<i>O</i>,<i>O</i>'-diethyldithiophosphato-<i>S</i>,<i>S</i>')bis(dimethylphenylphosphine)technetium(III)","Acta Crystallographica Section C","1995","51","10","1983","1985","10.1107/S0108270195005063","","","0.7093","MoKα","","0.0377","0.0271","","0.0753","0.0689","","","","1.068","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004046","8.5973","0.0005","16.592","0.0008","30.202","0.002","90","","90","","90","","4308.2","0.4","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","6","P 21 21 21","P 2ac 2ab","19","","(+)-(S)-4-[(2-Benzothiazolyl)methylamino]-α-[(3,4-difluorophenoxy)methyl]- piperidineethanol","","- C22 H25 F2 N3 O2 S -","- C25 H26.5 F3 N3 O2 S -","- C200 H212 F24 N24 O16 S8 -","8","2","NA1175","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","(+)-(<i>S</i>)-1-{4-[(2-Benzothiazolyl)(methyl)amino]piperidyl}-3-(3,4-difluorophenoxy)-2-propanol (Lubeluzole)","Acta Crystallographica Section C","1995","51","10","2129","2132","10.1107/S0108270195005439","","","1.54184","CuKα","","0.0591","0.0524","","0.1541","0.154","","","","1.039","1.038","1.038","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004047","7.653","0.004","15.98","0.01","17.57","0.01","90","","90","","90","","2149","2","293","","293","","","","","","","","Kali-Chemie, Pharma GmbH, Hannover, Germany","5","P b c 21","P 2c -2b","29","","1,8-Dimethyl-2-[(3-furancarbonyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1182","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","1,8-Dimethyl-2-(3-furanoylaminomethyl)-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1995","51","10","2177","2179","10.1107/S0108270195006949","","","1.54184","CuKα","","0.0344","0.0334","","0.0885","0.0885","","","","1.068","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004048","11.631","0.003","11.066","0.001","10.563","0.002","90","","99.04","0.02","90","","1342.7","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Co N5 O7 -","- C8 H16 Co N5 O7 -","- C32 H64 Co4 N20 O28 -","4","1","NS1000","Egan, T. J.; Baldwin, D. A.; Denner, L.; Levendis, D. C.; Marques, H. M.","Guanidinium β-<i>cis</i>-(Carbonato-<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>'-ethylenediaminediacetato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'')cobaltate(III)","Acta Crystallographica Section C","1995","51","10","1994","1997","10.1107/S010827019500463X","","","0.71073","MoKα","","","0.0349","","","0.081","","","","","0.906","0.906","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004049","10.253","0.001","13.061","0.001","16.593","0.001","112.94","0.01","99.4","0.01","91.09","0.01","2010.5","0.3","200","2","200","2","","","","","","","ethanol","6","P -1","-P 1","2","","2,4,6-Tris(2-pyridyl)-1,3,5-triazyllithium tetraphenylborate bis(ethanol) solvate","","- C46 H44 B Li N6 O2 -","- C46 H44 B Li N6 O2 -","- C92 H88 B2 Li2 N12 O4 -","2","1","NS1001","Schödel, H.; Van, T. T. H.; Bock, H.","2,4,6-Tris(2-pyridyl)-1,3,5-triazine‒Lithium Tetraphenylborate Bis(ethanol) Solvate","Acta Crystallographica Section C","1995","51","10","2001","2004","10.1107/S0108270195004641","","","0.71073","MoKα","","0.0851","0.06","","0.181","0.1547","","","","1.021","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004050","16.636","0.003","16.733","0.003","17.19","0.003","90","","98.25","0.01","90","","4735.7","1.5","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H144 Ag2 I4 N4 O19 W6 -","- C64 Ag2 I4 N4 O19 W6 -","- C128 Ag4 I8 N8 O38 W12 -","2","0.5","OH1075","Hou, H.-W.; Ye, X.; Xin, X.; Wang, Z.; Liu, S.; Huang, J.","Tetrabutylammonium Di-μ-iodo-bis(iodoargentate) Hexatungstate, [^<i>n^</i>Bu~4~N]~4~[Ag~2~I~4~][W~6~O~19~]","Acta Crystallographica Section C","1995","51","10","2013","2015","10.1107/S0108270195005038","","","0.71073","MoKα","","","0.038","","","0.047","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004052","9.845","0.002","11.513","0.004","3.775","0.001","90","","90","","90","","427.9","0.2","295","","","","","","","","","","see text","4","P b a m","-P 2 2ab","55","","","","- O8 S2 Sm2 Ta3 -","- O8 S2 Sm2 Ta4 -","- O16 S4 Sm4 Ta8 -","2","0.25","OH1081","Guo, G.; Wang, Y.; Chen, J.; Zhuang, H.; Huang, J.; Zhang, Q.","Samarium Tantalum Oxysulfide, Sm~2~Ta~3~S~2~O~8~","Acta Crystallographica Section C","1995","51","10","1964","1966","10.1107/S0108270195005026","","","0.71069","MoKα","","","0.058","","","0.076","","","","","1.33","1.33","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004053","7.6178","0.0009","7.6178","0.0009","7.2537","0.0007","90","","90","","120","","364.54","0.07","297","","","","","","","","","","see text","4","R 3 2 :H","R 3 2""","155","","","","- Ba H3 I O6 -","- Ba H3 I O6 -","- Ba3 H9 I3 O18 -","3","0.166667","OH1082","Sasaki, M.; Yarita, T.; Sato, S.","Ba[H~3~IO~6~]","Acta Crystallographica Section C","1995","51","10","1968","1970","10.1107/S0108270195004744","","","0.71069","MoKα","","","0.011","","","0.014","","","","","1.29","1.29","","","","","has coordinates","211153","2020-10-21","18:00:00",""
"2004054","12.2439","0.0012","10.6348","0.0009","14.0329","0.0013","90","","117.964","0.006","90","","1613.9","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","5","C 1 2/c 1","-C 2yc","15","","3-methyl-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C7 H7 N3 O2 S -","- C7 H7 N3 O2 S -","- C56 H56 N24 O16 S8 -","8","1","PA1157","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[2,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","10","2064","2066","10.1107/S0108270194014447","","","1.5418","CuKα","","0.0324","0.0284","","0.0784","0.0769","","","","1.034","1.084","1.084","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004055","8.156","0.002","13.017","0.003","13.035","0.003","90","","89.81","0.02","90","","1383.9","0.6","293","","","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","PA1163","Souron, J.-P.; Quarton, M.; Robert, F.; Lyubchova, A.; Cosse-Barbi, A.; Doucet, J. P.","Pyridoxal Isonicotinoyl Hydrazone (PIH), a Synthetic Ion-Chelating Agent","Acta Crystallographica Section C","1995","51","10","2179","2182","10.1107/S0108270195004586","","","0.71069","MoKα","","","0.0389","","","0.0383","","","","","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004056","8.448","0.002","9.383","0.003","21.14","0.007","90","","90","","90","","1675.7","0.9","293","","293","","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R,4S)-N-methyl-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4- tetrahydroisoquinolinium","","- C17 H18 B F4 N O -","- C17 H18 B F4 N O -","- C68 H72 B4 F16 N4 O4 -","4","1","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.097","","","0.083","","","","","1.05","1.05","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004057","9.13","0.007","15.082","0.012","9.506","0.007","90","","100.36","0.03","90","","1287.6","1.7","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(1S,2R,3R,4S)-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.045","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004058","8.517","0.006","15.512","0.009","25.925","0.014","90","","90","","90","","3425","4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-12 dihydro, 7-triethylsilyl, 10-deacetylbaccatin III.","","- C35 H52 O10 Si -","- C35 H52 O10 Si -","- C140 H208 O40 Si4 -","4","1","PA1173","Chiaroni, A.; Riche, C.; Marder, R.; Dubois, J.; Guénard, D.; Guéritte-Voegelein, F.","A 10-Deacetylbaccatin III Derivative: 11,12-Dihydro-7-triethylsilyl-10-deacetylbaccatin III","Acta Crystallographica Section C","1995","51","10","2050","2053","10.1107/S0108270195004616","","","1.5418","CuKα","","","0.041","","","0.056","","","","","0.96","0.96","","","","","has coordinates,has disorder","190593","2020-10-21","18:00:00",""
"2004059","12.801","0.001","7.819","0.001","15.169","0.002","90","","101.08","0.01","90","","1490","0.3","293","","","","","","","","","","see prep","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","PA1179","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","2-Hydroxymethyl-1-pentylbenzimidazole Hemi(1,4-dioxane) Solvate","Acta Crystallographica Section C","1995","51","10","2147","2148","10.1107/S0108270195006688","","","1.5418","CuKα","","","0.044","","","0.046","","","","","4.34","4.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004060","10.712","0.004","9.902","0.001","19.562","0.003","90","","101.25","0.02","90","","2035.1","0.9","290","","290","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C13 H12 O -","- C13 H11 O -","- C104 H88 O8 -","8","4","PA1180","Rajnikant; Watkin, D.; Tranter, G.","Biphenyl-2-methanol","Acta Crystallographica Section C","1995","51","10","2161","2163","10.1107/S0108270195005002","","","1.54184","CuKα","","","0.0706","","","0.0764","","","","","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004061","8.77","0.02","20.42","0.03","13.17","0.02","90","","90","","90","","2359","7","200","2","200","2","","","","","","","isolated from needles of Taxus chinensis; after CC-separation and purification recrystallisation from n-hexane/ EtOH.","3","P 21 21 21","P 2ac 2ab","19","","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4b,20-epoxy-taxa-11-ene","","- C24 H36 O8 -","- C24 H36 O8 -","- C96 H144 O32 -","4","1","SE1076","Wiedenfeld, H.; Knoch, F.; Zhang, Z. P.","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4β,20-epoxy-taxa-11-en, ein neues Taxan aus <i>Taxus chinensis</i>","Acta Crystallographica Section C","1995","51","10","2184","2186","10.1107/S010827019500429X","","","0.71073","MoKα","","0.0847","0.0393","","0.0957","0.0837","","","","0.708","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004062","9.759","0.001","27.561","0.001","8.941","0.001","90","","114.87","0.01","90","","2181.8","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N O P S -","- C21 H30 N O P S -","- C84 H120 N4 O4 P4 S4 -","4","1","SH1109","Wieczorek, W.","[3,3-Dimethyl-1-(2-pyridylthio)butyl]methyl(2,4,6-trimethylphenyl)phosphine Oxide","Acta Crystallographica Section C","1995","51","10","2108","2110","10.1107/S0108270195004100","","","1.54184","CuKα","","","0.049","","","0.053","","","","","2.03","2.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004063","11.35","0.003","13.838","0.003","10.509","0.003","90","","100.15","0.02","90","","1624.7","0.7","296","","","","","","","","","","Recrystallization from ether/petroleum ether at 253 K","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H17 Br O2 -","- C80 H68 Br4 O8 -","4","1","SZ1004","Lloyd, B. A.; Arif, A. M.; Coots, R. J.; Allred, E. L.","A Structure with Through-Space Cyclopropyl π-Interaction","Acta Crystallographica Section C","1995","51","10","2059","2062","10.1107/S0108270195003477","","","0.71073","MoKα","","","0.0622","","","0.0625","","","","","2.3818","2.3818","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004064","9.3901","0.0015","18.497","0.003","4.2114","0.0005","90.65","0.01","102.86","0.01","73.09","0.01","681.17","0.18","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","SZ1006","Zacharias, D. E.; Glusker, J. P.; Harvey, R. G.","4,5-Dihydrobenzo[<i>a</i>]pyrene-4,5-<i>trans</i>-(<i>e</i>,<i>e</i>)-diol","Acta Crystallographica Section C","1995","51","10","2096","2098","10.1107/S0108270195003489","","","1.5418","CuKα","","","0.045","","","0.058","","","","","0.85","0.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004065","5.564","0.002","17.816","0.011","17.028","0.009","90","","92.1","0.04","90","","1686.8","1.5","288","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O10 -","- C15 H20 O10 -","- C60 H80 O40 -","4","1","SZ1017","Baughman, R. G.; Sands, R. D.","Methyl 1-Hydroxy-2,4,6-trimethoxycarbonyl-3-oxo-1-cyclohexaneacetate","Acta Crystallographica Section C","1995","51","10","2068","2071","10.1107/S0108270195003532","","","0.71073","MoKα","","","0.071","","","0.127","","","","","1.027","1.027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004066","5.923","0.001","6.803","0.001","19.554","0.005","90","","90","0.03","90","","787.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dicyclohexyl-dithiooxamide.","","- C14 H24 N2 S2 -","- C14 H24 N2 S2 -","- C28 H48 N4 S4 -","2","0.5","SZ1025","Perec, M.; Baggio, R.; Garland, M. T.","<i>N</i>,<i>N</i>'-Dicyclohexyldithiooxamide","Acta Crystallographica Section C","1995","51","10","2182","2184","10.1107/S0108270195006391","","","0.71073","MoKα","","0.0262","0.0254","","0.0747","0.0645","","","","0.267","0.234","0.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004067","5.394","0.002","11.725","0.002","20.062","0.005","90","","95.48","0.02","90","","1263","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dicyclohexylammonium chloride","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C48 H96 Cl4 N4 -","4","1","TA1015","Ng, S. W.","Dicyclohexylammonium Chloride","Acta Crystallographica Section C","1995","51","10","2149","2150","10.1107/S0108270195003131","","","0.71073","MoKα","","0.0629","0.0398","","0.1027","0.0929","","","","1.039","1.107","1.107","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004068","10.664","0.002","9.829","0.004","20.058","0.002","90","","105.315","0.005","90","","2027.7","0.9","298","","298","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","bis(dicyclohexylammonium trithiocarbodiglycolate trithiocarbodiglycolic acid","","- C17 H29 N O4 S3 -","- C17 H29 N O4 S3 -","- C68 H116 N4 O16 S12 -","4","1","TA1016","Ng, S. W.","Bis(dicyclohexylammonium) Trithiocarbodiglycolate Trithiocarbodiglycolic Acid","Acta Crystallographica Section C","1995","51","10","2150","2152","10.1107/S010827019500312X","","","0.71073","MoKα","","0.0849","0.0435","","0.1186","0.0999","","","","0.992","1.067","1.067","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2004069","6.732","0.002","24.375","0.004","12.027","0.003","90","","115.1","0.02","90","","1787.2","0.8","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","VJ1022","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.","Archangelin","Acta Crystallographica Section C","1995","51","10","2196","2198","10.1107/S0108270195005506","","","0.71073","MoKα","","","0.051","","","0.154","","","","","0.679","0.679","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004070","13.538","0.003","10.798","0.003","24.646","0.002","90","","91.4","0.03","90","","3601.8","1.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Ca N10 O14 -","- C36 H20 Ca N10 O13.9 -","- C144 H80 Ca4 N40 O55.6 -","4","1","AB1176","Vijayvergiya, V.; Padmanabhan, B.; Singh, T. P.","<i>trans</i>-Bis(1,10-phenanthroline)-<i>trans</i>-bis(2,4,6-trinitrophenolato-<i>O</i>,<i>O</i>')calcium(II)","Acta Crystallographica Section C","1995","51","11","2235","2238","10.1107/S0108270195005233","","","1.54184","CuKα","","","0.061","","","0.061","","","","","1.59","1.59","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2004071","16.4845","0.0007","8.0579","0.0004","21.8436","0.0013","90","","98.812","0.005","90","","2867.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","endo-5-methyl-exo-6-phenylseleno-endo-tricyclo[5.2.1.0^2,6^]deca-8-en-3-one","","- C17 H18 O Se -","- C17 H18 O Se -","- C136 H144 O8 Se8 -","8","2","AB1222","Moers, F. G.; Smits, J. M. M.; Beurskens, P. T.; Zhu, J.; Klunder, A. J. H.","<i>endo</i>-5-Methyl-<i>exo</i>-6-phenylseleno-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-3-one","Acta Crystallographica Section C","1995","51","11","2335","2338","10.1107/S0108270195006251","","","0.71073","MoKα","","0.1784","0.0584","","0.0928","0.0685","","","","1.101","1.293","1.293","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004072","15.011","0.008","8.862","0.004","9.068","0.004","90","","107.5","0.02","90","","1150.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diglycyl-glycine methyl ester hydrochloride","","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","AB1258","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","Hydrogen Bonding in Glycyl-glycyl-glycine Methyl Ester Hydrochloride","Acta Crystallographica Section C","1995","51","11","2362","2364","10.1107/S0108270195005646","","","0.71069","MoKα","","0.0646","0.0484","","0.1541","0.1394","","","","1.045","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004073","10.857","0.003","11.445","0.002","13.916","0.003","87.51","0.02","80.91","0.02","73.42","0.03","1636.5","0.7","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl N O3 P -","- C16 H19 Cl N O3 P -","- C64 H76 Cl4 N4 O12 P4 -","4","2","AB1259","Liu, X.-L.; Zhou, Y.; Li, W.-Z.; Fan, Z.; Miao, F.-M.; Mao, L.-J.; Chen, R.-Y.","Dimethyl [α-(Benzylamino)-<i>p</i>-chlorobenzyl]phosphonate","Acta Crystallographica Section C","1995","51","11","2350","2352","10.1107/S0108270195005245","","","0.71073","MoKα","","","0.055","","","0.056","","","","","1.51","1.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004074","8.142","0.009","17.617","0.008","10.479","0.004","90","","107.23","0.07","90","","1435.6","1.9","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 Ni O4 P2 S4 -","- C18 H32 N4 Ni O4 P2 S4 -","- C36 H64 N8 Ni2 O8 P4 S8 -","2","0.5","AB1261","Huang, X.-Y.; Xiong, R.-G.; You, X.-Z.","The Adduct of Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato)nickel(II) with 3-Aminopyridine","Acta Crystallographica Section C","1995","51","11","2261","2263","10.1107/S0108270195004999","","","0.71073","MoKα","","","0.04","","","0.051","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004079","9.025","0.003","6.695","0.001","7.721","0.001","90","","116.18","0.01","90","","418.66","0.17","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Na Zn Zr2 -","- F11 Na Zn Zr2 -","- F22 Na2 Zn2 Zr4 -","2","0.25","AB1265","Kettani, M. H.; Avignant, D.; Metin, J.","Na<i>M</i>^II^Zr~2~F~11~ (<i>M</i>^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica Section C","1995","51","11","2207","2210","10.1107/S0108270195006081","","","0.71073","MoKα","","","0.028","","","0.035","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004080","12.38","0.002","11.194","0.002","26.892","0.005","90","","90","","90","","3726.7","1.1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","1,2;3,4-Bis(8',11'-dioxa[4.3.3]propella(3',4'))benzene","1H,3H,4H,7H,8H,10H,11H,12H-3a,12a:7a,10a-Bis(methanoxymethano)phenanthro [2,3-c:6,7-c']difuran","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","2","AB1266","Stadnicka, K.; Zeslawski, W.","1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene","Acta Crystallographica Section C","1995","51","11","2377","2381","10.1107/S0108270195007402","","","0.7093","MoKα~1~","","0.0593","0.0317","","0.0809","0.0709","","","","1.066","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004081","12.666","0.001","8.552","0.002","8.034","0.002","90","","95.49","0.01","90","","866.2","0.3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-dimethylanilinium chloride","2,6-dimethylphenylammonium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","AB1275","Linden, A.; James, B. D.; Liesegang, J.","2,6-Dimethylphenylammonium Chloride at 173 and 293 K","Acta Crystallographica Section C","1995","51","11","2317","2320","10.1107/S0108270195007918","","","0.71069","MoKα","","0.0509","0.0342","","0.0438","0.0413","","","","","1.669","1.669","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004082","12.766","0.002","8.566","0.001","8.136","0.001","90","","94.84","0.01","90","","886.5","0.2","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-dimethylanilinium chloride","2,6-dimethylphenylammonium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","AB1275","Linden, A.; James, B. D.; Liesegang, J.","2,6-Dimethylphenylammonium Chloride at 173 and 293 K","Acta Crystallographica Section C","1995","51","11","2317","2320","10.1107/S0108270195007918","","","0.71069","MoKα","","0.1203","0.0465","","0.045","0.039","","","","","1.801","1.801","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004083","9.502","0.003","9.98","0.004","10.68","0.004","90","","90","","90","","1012.8","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","AB1286","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.","({-})-(1<i>S</i>,3<i>R</i>,4<i>R</i>,6<i>S</i>)-4,7,7-Trimethyl-5-oxobicyclo[4.1.0]heptane-3-carbonitrile","Acta Crystallographica Section C","1995","51","11","2315","2317","10.1107/S0108270195008316","","","0.71069","MoKα","","0.039","0.0365","","0.0881","0.0876","","","","1.096","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004084","11.529","0.004","17.725","0.005","7.172","0.005","90","","90","","90","","1465.6","1.2","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2,2^1^-anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]- α-D-allopyranoside","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","AB1289","Linden, A.; Lee, C. K.","Methyl 2,2^1^-Anhydro-4,6-<i>O</i>-benzylidene-3-deoxy-3-<i>C</i>-[(<i>R</i>)-2-hydroxyethyl]-α-<small>D</small>-<i>allo</i>-pyranoside at 173 K","Acta Crystallographica Section C","1995","51","11","2320","2322","10.1107/S0108270195008997","","","0.71069","MoKα","","0.0777","0.0453","","0.0432","0.0399","","","","","1.598","1.598","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004085","9.005","0.001","9.416","0.001","9.269","0.001","90","","90.58","0.01","90","","785.89","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diethyl thiourea","","- C5 H12 N2 S -","- C5 H12 N2 S -","- C20 H48 N8 S4 -","4","1","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.1003","0.0723","","0.2364","0.2153","","","","1.021","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004086","10.463","0.002","9.276","0.002","10.596","0.003","90","","107.83","0.02","90","","979","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diisopropyl thiourea","","- C7 H16 N2 S -","- C7 H16 N2 S -","- C28 H64 N8 S4 -","4","1","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.0477","0.0395","","0.1153","0.1116","","","","1.058","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004087","7.951","0.002","25.576","0.009","5.689","0.002","90","","90","","90","","1156.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diphenyl thiourea","","- C13 H12 N2 S -","- C13 H12 N2 S -","- C52 H48 N8 S4 -","4","0.5","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.1221","0.0676","","0.2088","0.1775","","","","0.933","1.108","1.108","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004088","7.949","0.001","9.071","0.002","14.032","0.004","77.58","0.02","77.73","0.02","64.18","0.01","881.3","0.4","298","3","","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C18 H48 Cl4 Cu2 N8 O16 -","2","1","AS1183","Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.","Diperchlorato[(2<i>RS</i>,5<i>SR</i>,9<i>RS</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]copper(II)","Acta Crystallographica Section C","1995","51","11","2275","2277","10.1107/S0108270195006226","","","0.71073","MoKα","","","0.034","","","0.036","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004089","7.693","0.002","9.178","0.001","22.982","0.004","90","","116.59","0.02","90","","1451","0.5","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theophilline p-nitroaniline complex","","","- C13 H14 N6 O4 -","- C13 H14 N6 O4 -","- C52 H56 N24 O16 -","4","1","AS1190","Zaitu, S.; Miwa, Y.; Taga, T.","1:1 Molecular Complex of Theophylline and <i>p</i>-Nitroaniline","Acta Crystallographica Section C","1995","51","11","2390","2392","10.1107/S010827019500864X","","","1.54178","CuKα","","","0.07","","","0.075","","","","","0.8","0.8","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2004090","11.518","0.001","11.518","0.001","19.966","0.004","90","","90","","120","","2293.9","0.5","294","","21","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Fe N3 O15 S6 -","- C12 H36 Fe N3 O18 S6 -","- C36 H108 Fe3 N9 O54 S18 -","3","0.166667","BK1054","Tzou, J.-R.; Mullaney, M.; Norman, R. E.; Chang, S.-C.","Hexakis(dimethyl sulfoxide-<i>O</i>)iron(III) Trinitrate","Acta Crystallographica Section C","1995","51","11","2249","2252","10.1107/S0108270195005695","","","0.7107","MoKα","","","0.0435","","","0.054","","","","","5.165","5.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004091","7.467","0.002","8.161","0.003","10.717","0.002","80.81","0.02","73.64","0.02","71.71","0.02","593.1","0.3","297","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 N4 O6 Zn -","- C6 H14 N4 O6 Zn -","- C12 H28 N8 O12 Zn2 -","2","1","BK1082","Yar, O.; Lessinger, L.","Bis(acetato-<i>O</i>)bis(urea-<i>O</i>)zinc(II), [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~]","Acta Crystallographica Section C","1995","51","11","2282","2285","10.1107/S0108270195006974","","","0.71069","MoKα","","0.0423","0.0319","","","0.0806","","","","","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004092","11.416","0.001","11.749","0.001","14.501","0.001","105.08","0.01","109.83","0.01","95.33","0.01","1731.1","0.3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H60 Au2 N6 P4 S4 -","- C76 H60 Au2 N6 P4 S4 -","- C76 H60 Au2 N6 P4 S4 -","1","0.5","BK1099","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.","Bis[bis(triphenylphosphoranylidene)ammonium] Bis[cyanodithiocarbimatogold(I)], [PPN]~2~[Au~2~(S~2~CNCN)~2~]","Acta Crystallographica Section C","1995","51","11","2271","2273","10.1107/S0108270195004628","","","0.71073","MoKα","","","0.029","","","0.038","","","","","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004093","7.643","0.001","11.578","0.002","13.117","0.002","69.69","0.05","80.57","0.06","86.87","0.05","1073.9","0.5","297","","297","","","","","","","","","5","P -1","-P 1","2","","1-Amino-2-nitro-4,5-bis(p-toluenesulfonamido)-benzene","","- C20 H20 N4 O6 S2 -","- C20 H20 N4 O6 S2 -","- C40 H40 N8 O12 S4 -","2","1","BK1112","Bolger, J.; Gourdon, A.","1-Amino-2-nitro-4,5-bis(<i>p</i>-toluenesulfonamido)benzene","Acta Crystallographica Section C","1995","51","11","2395","2397","10.1107/S0108270195006950","","","0.71069","MoKα","","","0.034","","","0.034","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004094","5.682","0.002","7.186","0.006","17.775","0.002","90","","92.75","0.02","90","","724.9","0.7","294.2","","294.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cl N -","- C12 H28 Cl N -","- C24 H56 Cl2 N2 -","2","1","BK1118","Silver, J.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Dodecylammonium Chloride","Acta Crystallographica Section C","1995","51","11","2432","2434","10.1107/S0108270195006858","","","0.7107","MoKα","","","0.035","","","0.0307","","","","","1.928","1.928","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004095","8.6495","0.0014","9.857","0.002","12.375","0.003","102.11","0.02","89.77","0.02","104.65","0.02","996.7","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-methyl-1,2,3,5-diselenadiazolyl","","- C4 H6 N4 Se4 -","- C4 H6 N4 Se4 -","- C16 H24 N16 Se16 -","4","2","BK1120","Bryan, C. D.; Cordes, A. W.; Oakley, R. T.; von Spence, R. E.","4,4'-Dimethyl-1,1'-bi(1,2,3,5-diselenadiazole)","Acta Crystallographica Section C","1995","51","11","2402","2404","10.1107/S0108270195006147","","","0.71073","MoKα","","0.133","0.047","","0.081","0.064","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004096","8.2444","0.0015","10.7401","0.0013","20.049","0.003","90","","95.057","0.014","90","","1768.3","0.5","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisila- bicyclo[3,3,3]undecane","","- C36 H30 As2 O6 Si3 -","- C36 H30 As2 O6 Si3 -","- C72 H60 As4 O12 Si6 -","2","1","BK1128","Ferguson, G.; O'Leary, B.; Spalding, T. R.","An As~2~Si~3~O~6~ Cage Compound, 3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisilabicyclo[3.3.3]undecane","Acta Crystallographica Section C","1995","51","11","2312","2315","10.1107/S0108270195006159","","","0.7107","MolybdenumKα","","0.043","0.029","","0.04","0.038","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004097","15.163","0.003","28.912","0.008","16.286","0.006","90","","91.02","0.02","90","","7139","4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 Fe2 N12 O9 -","- C72 H84 Fe2 N12 O9 -","- C288 H336 Fe8 N48 O36 -","4","1","BK1130","Schaefer, W. P.; Ellis, P. E.; Lyons, J. E.; Shaikh, S. N.","A μ-Oxo-bis[iron(III) porphyrin] Complex","Acta Crystallographica Section C","1995","51","11","2252","2255","10.1107/S0108270195005701","","","0.71073","MoKα","","","","","","0.013","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004098","8.388","0.002","10.527","0.002","19.73","0.004","90","","90","","90","","1742.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-deoxy-1-(hydroxyamino)-2,3-O-diisopropylidene-1- (N-methylimidazol-2-yl)-D-threo-triitol.","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","BK1141","Merino, P.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. I. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-2,3-<i>O</i>-isopropylidene-1-(1-methylimidazol-2-yl)-<small>D</small>-<i>threo</i>-triitol","Acta Crystallographica Section C","1995","51","11","2400","2401","10.1107/S0108270195006962","","","0.71073","MoKα","","0.0854","0.0467","","0.1251","0.1027","","","","1.029","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004099","11.5304","0.0006","12.2492","0.0005","10.2645","0.0006","90","","91.89","0.01","90","","1448.95","0.13","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(5-chloro-2-nitrophenyl)-disulphide","","- C12 H6 Cl2 N2 O4 S2 -","- C12 H6 Cl2 N2 O4 S2 -","- C48 H24 Cl8 N8 O16 S8 -","4","0.5","BK1145","Garcia, J. G.; Haydar, S. N.; Krapcho, A. P.; Fronczek, F. R.","Bis(5-chloro-2-nitrophenyl) Disulfide","Acta Crystallographica Section C","1995","51","11","2333","2335","10.1107/S0108270195008055","","","0.71073","MoKα","","","0.033","","","0.044","","","","","2.173","2.173","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004100","6.658","0.001","11.528","0.002","5.695","0.002","101.47","0.03","95.59","0.02","92.24","0.02","425.58","0.19","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 As N O6 -","- C6 H3 As N O6 -","- C12 H6 As2 N2 O12 -","2","1","BM1011","Nuttall, R. H.; Hunter, W. N.","Redetermination of 4-Hydroxy-3-nitrobenzenearsonic Acid","Acta Crystallographica Section C","1995","51","11","2342","2344","10.1107/S0108270195007542","","","1.54184","CuKα","","","0.058","","","0.082","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004101","8.568","0.009","9.333","0.004","11.972","0.013","75.52","0.08","69.61","0.07","80.45","0.07","865.6","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κO:κO')-bis(1,5,9-triazacyclododecane-2,4-dione-N^9^)- dicopper(II)","","- C26 H46 Cu2 N6 O12 -","- C26 H46 Cu2 N6 O12 -","- C26 H46 Cu2 N6 O12 -","1","0.5","BM1015","Clarke, A. J.; Carmichael, A. J.; Errington, W.; Moore, P.","Tetrakis(μ-acetato-<i>O</i>:<i>O</i>')bis(1,5,9-triazacyclododecane-2,4-dione-<i>N</i>^9^)dicopper(II)(<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section C","1995","51","11","2279","2282","10.1107/S0108270195006512","","","0.71073","MoKα","","0.0524","0.0358","","0.1257","0.0863","","","","1.201","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004102","7.019","0.001","7.019","0.001","12.925","0.002","90","","90","","120","","551.46","0.14","296","","296","","","","","","","","","5","P 32 2 1","P 32 2""","154","sodium cerium sulfate monohydrate","","","- Ce H2 Na O9 S2 -","- Ce H2 Na O10 S2 -","- Ce3 H6 Na3 O30 S6 -","3","0.5","BR1102","Blackburn, A. C.; Gerkin, R. E.","Redetermination of Sodium Cerium(III) Sulfate Monohydrate, NaCe(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1995","51","11","2215","2218","10.1107/S0108270195006135","","","0.71073","MoKα","","","0.017","","","0.03","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004103","11.991","0.005","20.666","0.002","24.082","0.004","67.616","0.01","77.54","0.02","87.58","0.02","5383","3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","fac-Tricarbonyl-tris(triphenyl phospite)molybdenum","","- C57 H45 Mo O12 P3 -","- C57 H45 Mo O12 P3 -","- C228 H180 Mo4 O48 P12 -","4","2","CF1001","Alyea, E. C.; Ferguson, G.; Song, S.-Q.","<i>fac</i>-Tricarbonyltris(triphenyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1995","51","11","2238","2242","10.1107/S0108270195006603","","","0.7107","MolybdenumKα","","0.2479","0.0908","","0.22","0.1694","","","","0.808","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004104","4.5232","0.0008","10.5764","0.001","14.8003","0.0014","90","","90","","90","","708.03","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-3-deoxy-D-erythro-hex-2-enono-1,5-lactone and 2-Chloro-3-deoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H7 Br0.34 Cl0.66 O3 -","- C6 H7 Br0.339 Cl0.661 O3 -","- C24 H28 Br1.356 Cl2.644 O12 -","4","1","CF1006","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and its 6-Bromo Analogue","Acta Crystallographica Section C","1995","51","11","2450","2453","10.1107/S0108270195006615","","","0.71073","MoKα","","0.0508","0.0347","","0.0864","0.0821","","","","0.938","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004105","22.031","0.018","14.474","0.018","6.002","0.005","90","","90.42","0.1","90","","1914","3","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-[3'-(4-bromophenyl)-1'-phenylpyrazol-5'-yl] 2H-1-benzopyran-2-one","","- C24 H15 Br N2 O2 -","- C24 H15 Br N2 O2 -","- C96 H60 Br4 N8 O8 -","4","1","CF1011","Singh, S. K.; Kumar, N.; Malhotra, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3-[3-(4-Bromophenyl)-1-phenylpyrazol-5-yl]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","1995","51","11","2406","2407","10.1107/S0108270195007438","","","0.71073","MoKα","","0.0832","0.0832","","0.1623","0.1623","","","","1.062","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004106","30.061","0.014","7.218","0.004","14.283","0.008","90","","103.26","0.04","90","","3017","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3-(4-methylphenyl)-5-cyanomethylpyrazole","","- C18 H15 N3 -","- C18 H15 N3 -","- C144 H120 N24 -","8","2","CF1012","Singh, S. K.; Kumar, A.; Vats, A.; Bisht, K. S.; Parmar, V. S.; Errington, W.","5-Cyanomethyl-3-(4-methylphenyl)-1-phenylpyrazole","Acta Crystallographica Section C","1995","51","11","2404","2406","10.1107/S0108270195007773","","","0.71073","MoKα","","0.1053","0.1053","","0.194","0.194","","","","1.035","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004107","25.585","0.0014","11.841","0.002","8.012","0.003","90","","104.03","0.02","90","","2354.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(carboxymethyl)-2,6-dichloropurine ethyl ester","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C72 H64 Cl16 N32 O16 -","8","1","CF1024","Chan, D. M. C.; Schwalbe, C. H.; Sood, G.; Fraser, W.","9-(Carboxymethyl)-2,6-dichloropurine Ethyl Ester. An Intermediate for Peptidic Nucleic Acid Synthesis","Acta Crystallographica Section C","1995","51","11","2383","2386","10.1107/S0108270195008705","","","0.71069","MoKα","","0.0682","0.0353","","0.1064","0.0906","","","","1.015","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004108","17.411","0.002","15.756","0.002","10.593","0.001","90","","107.19","0.01","90","","2776.1","0.6","300","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Co P -","- C35 H32 Co P -","- C140 H128 Co4 P4 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.036","","","0.041","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004109","15.31","0.002","22.997","0.003","11.928","0.001","90","","103.35","0.01","90","","4086.2","0.8","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Co P -","- C55 H40 Co P -","- C220 H160 Co4 P4 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.065","","","0.059","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004110","16.459","0.004","28.668","0.004","10.269","0.003","90","","100.54","0.02","90","","4764","2","300","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Co Si4 -","- C49 H57 Co Si4 -","- C196 H228 Co4 Si16 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.06","","","0.083","","","","","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004111","6.86","0.008","18.938","0.002","16.224","0.004","90","","92.78","0.07","90","","2105","3","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N2 Ni O4 P2 S4 -","- C36 H52 N2 Ni O4 P2 S4 -","- C72 H104 N4 Ni2 O8 P4 S8 -","2","0.5","CR1171","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","The Adduct of Bis(<i>O</i>,<i>O</i>'-dibutyl dithiophosphato)nickel(II) with Isoquinoline","Acta Crystallographica Section C","1995","51","11","2263","2265","10.1107/S0108270195006019","","","0.71069","MoKα","","","0.049","","","0.058","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004112","13.758","0.005","5.391","0.001","16.844","0.004","90","","93","0.03","90","","1247.6","0.6","296","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","CR1180","Schaefer, W. P.; Abulū, J.","An Indanyl Precursor to a Chiral Spiro Compound","Acta Crystallographica Section C","1995","51","11","2364","2366","10.1107/S0108270195005609","","","0.71073","MoKα","","","","","","","","","","","2.95","2.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004113","10.989","0.004","20.086","0.003","11.058","0.003","90","","110.5","0.3","90","","2286","5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","CR1183","Krishnaiah, M.; Jagadeesh Kumar, N.; Bhaskar Reddy, D.; Muralidhar Reddy, M.; Soriano, M.; Chen, Y.-S.; Narasinga Rao, S.","Methyl 6-Benzoyl-3,5-diphenyl-1,4-thiomorpholine-2-carboxylate 1,1-Dioxide","Acta Crystallographica Section C","1995","51","11","2426","2428","10.1107/S010827019500583X","","","0.71073","MoKα","","","0.056","","","0.073","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004114","13.049","0.001","10.411","0.001","12.317","0.003","90","","105.5","0.1","90","","1612.4","0.9","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","CR1184","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Rajagopalan, K.; Chen, Y. S.; Yang, J.; Narasinga Rao, S.","5,5-Dimethyl-1,3-dioxacyclohexane-2-spiro(2',γ-dimethyl-3'-oxo-2'-cyclohexaneacrylic Acid)","Acta Crystallographica Section C","1995","51","11","2424","2426","10.1107/S0108270195005555","","","0.71073","MoKα","","","0.05","","","0.062","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004115","17.5076","0.0001","6.6859","0.0001","13.0147","0.0001","90","","94.48","0.01","90","","1518.77","0.03","23","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl O4 S -","- C17 H11 Cl O4 S -","- C68 H44 Cl4 O16 S4 -","4","1","CR1186","Krishnaiah, M.; Narayana Raju, K. V.; Lu, I-L.; Chen, Y.-S.; Narasinga Rao, S.","3-[2-(4-Chlorophenylsulfonyl)ethenyl]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1995","51","11","2429","2430","10.1107/S0108270195006597","","","0.71073","MoKα","","","0.033","","","0.05","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004116","7.6922","0.0005","14.1688","0.0008","19.3663","0.0011","90","","90","","90","","2110.7","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-fluoro-11β-hydroxy-16α-methylandrosta-1,4-diene-3,17-dione 2-butynoate","","- C24 H27 F O4 -","- C24 H27 F O4 -","- C96 H108 F4 O16 -","4","1","CR1188","Brock, C. P.; Song, J.","9α-Fluoro-16α-methyl-3,17-dioxoandrosta-1,4-dien-11β-yl 2-Butynoate","Acta Crystallographica Section C","1995","51","11","2437","2439","10.1107/S0108270195006020","","","0.71073","MoKα","","0.0908","0.0387","","0.1065","0.0897","","","","1","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004117","10.3828","0.0007","12.2813","0.0007","10.931","0.0009","90","","91.207","0.006","90","","1393.55","0.17","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-phenyl-2,4,6-triazatricyclo[5.4.2.0^2,6^]tridec-12-ene-3,5-dione","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","CR1189","Brock, C. P.; Demir, A. S.; Watt, D. S.","An Almost Planar Hydrazine Moiety in a Diels‒Alder Adduct","Acta Crystallographica Section C","1995","51","11","2434","2437","10.1107/S010827019500624X","","","0.71073","MoKα","","0.1125","0.0415","","0.1181","0.095","","","","1.016","1.113","1.113","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004118","10.125","0.001","12.764","0.002","11.338","0.002","90","","90.39","0.01","90","","1465.2","0.4","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-9-oxabicyclo[5.3.0]dec-5-en-1,3-diol Deuterochloroform solvate","","- C12 H18 Cl3 D O3 -","- C12 H19 Cl3 O3 -","- C48 H76 Cl12 O12 -","4","1","CR1194","Kumanovic, S.; Lautens, M.; Lough, A. J.","A Highly Substituted <i>trans</i>-Fused Bicyclo[5.3.0]decene","Acta Crystallographica Section C","1995","51","11","2370","2372","10.1107/S0108270195006573","","","0.71073","MoKα","","0.0637","0.0431","","0.1183","0.1051","","","","1.019","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004119","11.483","0.002","11.615","0.001","12.412","0.002","90","","111.44","0.01","90","","1540.9","0.4","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","DE1006","Lakshmi, S.; Subramanian, K.; Rajagopalan, K.; Koellner, G.; Steiner, Th.","1β-Hydroxy-1α-propargyl-2β-methyl-2-(2-ethoxycarbonylvinyl)cycloheptane","Acta Crystallographica Section C","1995","51","11","2327","2329","10.1107/S0108270195005208","","","1.542","CuKα","","","0.072","","","0.072","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004121","13.877","0.006","10.446","0.004","8.109","0.003","79.72","0.03","97.26","0.04","93.14","0.04","1146.7","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H38 O -","- C26 H38 O -","- C52 H76 O2 -","2","1","DU1111","Ginderow, D.","5-(2,6,6-Triméthyl-2-cyclohexen-1-yl)-3-[2-(2,6,6-triméthyl-2-cyclohexen-1-yl)éthenyl]-2-cyclohexen-1-one","Acta Crystallographica Section C","1995","51","11","2455","2458","10.1107/S0108270195006585","","","1.5418","CuKα","","0.0766","0.0726","","0.1999","0.1926","","","","1.063","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004122","45.92","0.05","10.418","0.003","7.923","0.008","90","","92.94","0.05","90","","3785","6","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs2 Mo4 O13 -","- Cs2 Mo4 O13 -","- Cs24 Mo48 O156 -","12","1.5","DU1116","Marrot, J.; Savariault, J.-M.","Two Original Infinite Chains in the New Caesium Tetramolybdate Compound Cs~2~Mo~4~O~13~","Acta Crystallographica Section C","1995","51","11","2201","2205","10.1107/S0108270195004811","","","0.71073","MoKα","","","0.066","","","0.16","","","","","1.161","1.161","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004123","9.368","0.002","3.396","0.001","7.799","0.003","90","","119.42","0.01","90","","216.12","0.12","295","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- As2 Nb -","- As2 Nb -","- As8 Nb4 -","4","0.5","DU1121","Bensch, W.; Heid, W.","NbAs~2~","Acta Crystallographica Section C","1995","51","11","2205","2207","10.1107/S0108270195007062","","","0.7107","MoKα","","","0.0303","","","0.0363","","","","","0.9536","0.9536","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004124","10.6883","0.0006","18.27","0.002","10.9819","0.0007","90","","117.706","0.005","90","","1898.6","0.3","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H57 Cl O6 Zr -","- C33 H57 Cl O6 Zr -","- C66 H114 Cl2 O12 Zr2 -","2","0.5","DU1125","Jardin, M.; Gao, Y.; Guéry, J.; Jacoboni, C.","Chlorotris(2,2,6,6-tetramethyl-3,5-heptanedionato-<i>O</i>,<i>O</i>')zirconium(IV)","Acta Crystallographica Section C","1995","51","11","2230","2232","10.1107/S0108270195006494","","","0.71073","MoKα","","","0.041","","","0.041","","","","","1.212","1.212","","","","","has coordinates","192024","2020-10-21","18:00:00",""
"2004125","6.853","0.001","7.878","0.001","18.299","0.003","79.11","0.01","82.37","0.01","68.96","0.01","903.2","0.2","298","","298","","","","","","","","","7","P -1","-P 1","2","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Hexafluorophosphate Chloroacetyl chloride solvate","","- C11 H9 Cl F3 O0.5 P0.5 S8 -","- C12 H8 Cl F3 O P0.5 S8 -","- C24 H16 Cl2 F6 O2 P S16 -","2","1","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0599","0.0397","","0.0487","0.0455","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004126","8.019","0.002","9.889","0.002","12.726","0.002","80.21","0.02","85.31","0.02","81.69","0.02","982.3","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Hexafluorophosphate Tetrahydrofuran solvate","","- C12 H12 F6 O0.5 P S8 -","- C17 H22 F6 O P S8 -","- C34 H44 F12 O2 P2 S16 -","2","1","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0891","0.0453","","0.0638","0.0523","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004127","14.172","0.002","10.63","0.002","5.751","0.001","90","","103.78","0.01","90","","841.4","0.2","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Perchlorate","","- C10 H8 Cl O4 S8 -","- C15 H16 O8 S8 -","- C30 H32 O16 S16 -","2","0.25","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0655","0.0488","","0.0692","0.0644","","","","","2.26","2.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004128","8.634","0.001","8.863","0.002","11.745","0.001","90","","98.33","0.01","90","","889.3","0.2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C42 H34 Cl2 O8 -","2","1","FG1072","Jones, R.; Rettig, S. J.; Trotter, J.","α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","11","2392","2395","10.1107/S0108270195005336","","","1.5418","CopperKα","","","0.079","","","0.088","","","","","4.6","4.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004129","20.55","0.001","10.513","0.001","17.813","0.001","90","","108.11","0.01","90","","3657.7","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C168 H136 Cl8 O32 -","8","2","FG1072","Jones, R.; Rettig, S. J.; Trotter, J.","α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","11","2392","2395","10.1107/S0108270195005336","","","1.5418","CopperKα","","","0.048","","","0.056","","","","","4","4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004130","8.324","0.002","24.833","0.005","8.178","0.001","95.76","0.02","90.62","0.02","90.87","0.02","1681.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(antazoline)-zinc(II)","","","- C34 H38 Cl2 N6 Zn -","- C34 H38 Cl2 N6 Zn -","- C68 H76 Cl4 N12 Zn2 -","2","1","FG1074","Parvez, M.; Rusiewicz, M.","Bis(antazoline)dichlorozinc(II)","Acta Crystallographica Section C","1995","51","11","2277","2279","10.1107/S0108270195006548","","","0.71069","MoKα","","","0.061","","","0.059","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004131","7.203","0.003","34.626","0.005","7.048","0.001","90","","90","","90","","1757.8","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone","","- C14 H27 N O3 Si -","- C14 H27 N O3 Si -","- C56 H108 N4 O12 Si4 -","4","1","FG1075","Hua, D. H.; Lagneau, N.; Park, J.-G.; Good, L. A.; Robinson, P. D.","(1<i>S</i>,8<i>S</i>,8a<i>S</i>)-(+)-1-(<i>tert</i>-Butyldimethylsilyloxy)-8-hydroxy-1,2,3,5,6,7,8,8a-octahydro-5-indolizinone","Acta Crystallographica Section C","1995","51","11","2301","2304","10.1107/S0108270195004963","","","0.71069","MoKα","","","0.054","","","0.059","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004132","5.615","0.002","10.0655","0.001","13.0482","0.001","90","","100.13","0.02","90","","726","0.3","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 S3 -","- C11 H18 N4 S3 -","- C22 H36 N8 S6 -","2","1","HU1123","Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.","2,3-Diethyl-5,6,7,8-tetrahydro-2aλ^4^-thia-2,3,4a,8a-tetraazacyclopent[<i>cd</i>]azulene-1(2<i>H</i>),4(3<i>H</i>)-dithione","Acta Crystallographica Section C","1995","51","11","2354","2356","10.1107/S010827019500343X","","","0.71069","MoKα","","","","","","","","","","","0.946","0.946","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004133","10.711","0.004","6.115","0.003","21.514","0.004","90","","99.919","0.02","90","","1388.1","0.9","120","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","HU1135","Rajnikant; Watkin, D. J.; Tranter, G.","4-Benzylbiphenyl","Acta Crystallographica Section C","1995","51","11","2388","2390","10.1107/S0108270195006329","","","0.71069","MoKα","","","0.0429","","","0.051","","","","","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004134","13.363","0.003","12.802","0.002","10.828","0.002","90","","107.04","0.02","90","","1771.1","0.6","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Fe O6 -","- C16 H20 Fe O6 -","- C64 H80 Fe4 O24 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.048","","","0.124","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004135","11.679","0.003","9.741","0.002","11.74","0.003","90","","95.5","0.03","90","","1329.5","0.6","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.052","","","0.126","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004136","5.381","0.001","24.265","0.002","8.988","0.002","90","","90.61","0.01","90","","1173.5","0.4","130","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 -","- C10 H13 N5 O4 -","- C40 H52 N20 O16 -","4","2","JZ1044","Schaible, H.-G.; Bats, J. W.; Engels, J. W.","5'-Azido-2',5'-dideoxythymidine","Acta Crystallographica Section C","1995","51","11","2410","2412","10.1107/S0108270195009310","","","1.54184","CuKα","","","0.027","","","0.081","","","","","2.39","2.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004137","12.551","0.002","5.0137","0.001","12.7","0.002","90","","104.62","0.02","90","","773.3","0.2","135","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C4 H5 K2 O6.5 -","- C4 H5 K2 O6.5 -","- C16 H20 K8 O26 -","4","1","JZ1050","Boese, R.; Bläser, D.; Latz, R.; Piennisch, M.","Dipotassium <small>L</small>-Tartrate Semihydrate","Acta Crystallographica Section C","1995","51","11","2227","2229","10.1107/S010827019500566X","","","0.71069","MoKα","","","0.0339","","","0.0341","","","","","1.0505","1.0505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004138","9.503","0.003","8.05","0.001","18.033","0.002","90","","98.68","0.02","90","","1363.7","0.5","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(η^5^-Cyclopentadienyl)zirkonium(2-n-butyl)acetylid Dimer","","- C32 H38 Zr2 -","- C32 H38 Zr2 -","- C64 H76 Zr4 -","2","0.5","JZ1052","Heshmatpour, F.; Wocadlo, S.; Massa, W.; Dehnicke, K.","Bis(η^5^-Cyclopentadienyl)zirkonium(2-<i>n</i>-butyl)acetylid Dimer","Acta Crystallographica Section C","1995","51","11","2225","2227","10.1107/S0108270195006482","","","0.71073","MoKα","","0.0495","0.0352","","0.086","0.082","","","","0.907","1.018","1.018","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004139","4.5164","0.0005","6.1355","0.0009","18.515","0.003","90","","94.58","0.02","90","","511.42","0.13","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H6 Fe N O5 P -","- C H6 Fe N O5 P -","- C4 H24 Fe4 N4 O20 P4 -","4","1","JZ1053","Cavellec, M.; Riou, D.; Ferey, G.","A Two-Dimensional Iron Phosphate Templated by Ethylenediamine","Acta Crystallographica Section C","1995","51","11","2242","2244","10.1107/S0108270195006731","","","0.71073","MoKα","","0.0246","0.0246","","0.0641","0.0641","","","","1.072","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004140","10.625","0.001","12.598","0.002","13.551","0.001","101.85","0.01","112.3","0.01","90.66","0.01","1634.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N,N'[1,1'-dimethylene-3,3'-biisoquinoline 2,2'-dioxide]4,13-diaza-18-crown-6 sodium bromide","","- C32 H40 Br N4 Na O7 -","- C32 H40 Br N4 Na O7 -","- C64 H80 Br2 N8 Na2 O14 -","2","1","KA1105","Suwinska, K.","Inclusion Complex of <i>N</i>,<i>N</i>'-(1,1'-Dimethylene-3,3'-biisoquinoline 2,2'-dioxide)-4,13-diaza-18-crown-6 with Sodium Bromide","Acta Crystallographica Section C","1995","51","11","2232","2235","10.1107/S0108270195004136","","","1.54178","CuKα","","0.0379","0.0361","","0.1068","0.105","","","","1.052","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004141","7.4393","0.0008","7.6507","0.0004","15.6806","0.0008","90","","90","","90","","892.47","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethylenediammonium Tartrate","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C24 H56 N8 O24 -","4","1","KA1121","Güneş, B.; Soylu, H.; Akkurt, O.; Özbey, S.","Aminoethylammonium Tartrate","Acta Crystallographica Section C","1995","51","11","2346","2348","10.1107/S0108270195006202","","","0.71069","MoKα","","0.0652","0.0618","","0.1706","0.1638","","","","1.131","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004142","9.211","0.004","14.671","0.004","11.533","0.004","90","","111.14","0.04","90","","1453.6","1","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","KA1123","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","3,3-(Oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2329","2331","10.1107/S0108270195007645","","","1.54184","CuKα","","","0.065","","","0.065","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004143","8.526","0.006","10.815","0.005","17.547","0.009","90","","90.4","0.06","90","","1617.9","1.6","295","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","KA1125","Lakshmi, S.; Subramanian, K.; Rajagopalan, K.; Koellner, G.; Steiner, Th.","Alkynyl Contacts in 1β-Hydroxy-1α-propargyl-2α-(2-ethoxycarbonylvinyl)-2,4,4-trimethylcyclopentane","Acta Crystallographica Section C","1995","51","11","2325","2327","10.1107/S0108270195007499","","","1.54184","CuKα","","","0.057","","","0.057","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004144","10.832","0.002","8.524","0.002","15.634","0.003","90","","108.31","0.03","90","","1370.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(phenylsulfonyl)-1,6-dioxaspiro[4.5]decan-10-one","","- C14 H16 O5 S -","- C14 H16 O5 S -","- C56 H64 O20 S4 -","4","1","KA1126","Alonso, I.; López-Solera, I.; Raithby, P. R.","4-Sulfonyl-1,6-dioxaspiro[4.5]decanes","Acta Crystallographica Section C","1995","51","11","2381","2383","10.1107/S0108270195006214","","","0.71073","MoKα","","0.0942","0.0496","","0.1255","0.1037","","","","1.017","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004145","8.613","0.002","10.453","0.002","10.561","0.002","63.55","0.03","68.81","0.03","84.74","0.03","791","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,7-dimethyl-4-(phenylsulfonyl)-1,6-dioxaspiro[4.5]decan-10-one","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C32 H40 O10 S2 -","2","1","KA1126","Alonso, I.; López-Solera, I.; Raithby, P. R.","4-Sulfonyl-1,6-dioxaspiro[4.5]decanes","Acta Crystallographica Section C","1995","51","11","2381","2383","10.1107/S0108270195006214","","","1.54178","CuKα","","0.046","0.0427","","0.1232","0.1199","","","","1.05","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004146","14.928","0.003","14.999","0.002","18.952","0.002","90","","90","","90","","4243.4","1.1","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N4 O2 S -","- C22 H26 N4 O2 S -","- C176 H208 N32 O16 S8 -","8","1","KA1128","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1-(Morpholinothiocarbonyl)-3,3-(oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2323","2325","10.1107/S0108270195007165","","","1.54184","CuKα","","","0.068","","","0.073","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004147","7.764","0.0008","13.784","0.002","15.692","0.0015","90","","103.77","0.008","90","","1631.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","2'-Methoxy-5'-methoxycarbonylspiro[dihydroacridine-9(10H),4'-thiazoline]","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","KA1131","Černák, J.; Kristian, P.; Bernát, J.; Lipkowski, J.","2'-Methoxy-5'-methoxycarbonylspiro[acridine-9(10<i>H</i>),4'(5'<i>H</i>)-thiazole]","Acta Crystallographica Section C","1995","51","11","2397","2399","10.1107/S0108270195006925","","","1.54178","CuKα","","0.0663","0.0538","","0.1628","0.1445","","","","1.07","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004148","7.625","0.003","11.262","0.002","13.883","0.002","90","","90","","90","","1192.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(p-tolyl)phthalimide","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","KA1133","Bocelli, G.; Cantoni, A.; Cozzini, P.","<i>N</i>-(<i>p</i>-Tolyl)phthalimide","Acta Crystallographica Section C","1995","51","11","2372","2374","10.1107/S0108270195007177","","","1.54178","CuKα","","0.0334","0.0304","","0.0806","0.0781","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004149","7.286","0.002","7.408","0.002","30.52","0.01","90","","90","","90","","1647.3","0.8","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd Cl4 N2 O -","- C12 H14 Cd Cl4 N2 O -","- C48 H56 Cd4 Cl16 N8 O4 -","4","0.5","KH1005","Huang, X.-Y.; Ye, Q.; Meng, Q.-J.; You, X.-Z.","4,4'-Oxydianilinium Tetrachlorocadmate(II), an Intercalation Compound","Acta Crystallographica Section C","1995","51","11","2285","2287","10.1107/S0108270195005762","","","0.71069","MoKα","","","0.041","","","0.054","","","","","1.86","1.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004150","14.664","0.002","13.913","0.001","17.592","0.008","90","","102.65","0.02","90","","3502","1.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl6 Eu N4 O8 -","- C30 H23 Cl6 Eu N4 O8 -","- C120 H92 Cl24 Eu4 N16 O32 -","4","1","KH1017","Lu, W.; Cheng, Y.; Dong, N.; Gu, J.; Xu, C.","Diaquabis(dichloroacetato)bis(1,10-phenanthroline)europium(III) Dichloroacetate and the Corresponding Erbium(III) Complex","Acta Crystallographica Section C","1995","51","11","2295","2299","10.1107/S0108270195004756","","","0.71073","MoKα","","","0.043","","","0.052","","","","","3.556","3.556","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004151","14.564","0.002","13.879","0.002","17.505","0.008","90","","102.36","0.02","90","","3456.3","1.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl6 Er N4 O8 -","- C30 H23 Cl6 Er N4 O8 -","- C120 H92 Cl24 Er4 N16 O32 -","4","1","KH1017","Lu, W.; Cheng, Y.; Dong, N.; Gu, J.; Xu, C.","Diaquabis(dichloroacetato)bis(1,10-phenanthroline)europium(III) Dichloroacetate and the Corresponding Erbium(III) Complex","Acta Crystallographica Section C","1995","51","11","2295","2299","10.1107/S0108270195004756","","","0.71073","MoKα","","","0.054","","","0.059","","","","","4.785","4.785","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004152","9.632","0.001","13.094","0.001","13.226","0.001","90","","101.65","0.01","90","","1633.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(p-Chlorophenyl)-4β(2'-thienyl)-5α-carbomethoxy methyl pyrrolydin-2-one.","","- C17 H16 Cl N O3 S -","- C17 H16 Cl N O3 S -","- C68 H64 Cl4 N4 O12 S4 -","4","1","KH1028","Sivakumar, K.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.","1-(<i>p</i>-Chlorophenyl)-5α-methoxycarbonylmethyl-4β-(2-thienyl)pyrrolidin-2-one","Acta Crystallographica Section C","1995","51","11","2444","2446","10.1107/S0108270195006111","","","0.71073","MoKα","","0.0559","0.0424","","0.1266","0.1215","","","","1.082","1.206","1.206","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004153","12.119","0.001","12.984","0.001","10.335","0.001","90","","90.67","0.01","90","","1626.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7-hexahydro-10-chloronaphtho[6,7-c]acridine","","- C21 H18 Cl N -","- C21 H16.304 Cl N -","- C84 H65.216 Cl4 N4 -","4","1","KH1029","Ray, J. K.; Haldar, M.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","1,2,3,4,6,7-Hexahydro-10-chloronaphtho-[3,2-<i>c</i>]acridine","Acta Crystallographica Section C","1995","51","11","2441","2443","10.1107/S0108270195006123","","","0.71073","MoKα","","0.0676","0.0454","","0.1383","0.1278","","","","0.967","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004154","8.535","0.002","8.535","0.002","17.339","0.006","90","","90","","90","","1263.1","0.6","138","","","","","","","","","","","3","P 41","P 4w","76","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.036","","","0.043","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004155","6.229","0.002","11.951","0.003","18.865","0.006","90","","90","","90","","1404.4","0.7","143","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.041","","","0.043","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004156","18.541","0.001","8.291","0.002","15.366","0.001","90","","97.26","0.01","90","","2343.2","0.6","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4H-benzo[b]quinolizin-4-one","","- C14 H17 N O -","- C14 H17 N O -","- C112 H136 N8 O8 -","8","1","KH1038","Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.","<i>cis</i>-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4<i>H</i>-benzo[<i>b</i>]quinolizin-4-one","Acta Crystallographica Section C","1995","51","11","2307","2309","10.1107/S0108270195005750","","","1.5418","CopperKα","","0.067","0.047","","0.072","0.063","","","","1.449","1.555","1.555","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004157","38.48","0.01","9.046","0.002","12.344","0.001","90","","106.08","0.03","90","","4128.7","1.6","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-hydroxyphenyl)salicylaldimin","","- C13 H11 N O2 -","- C13 H9 N O3 -","- C208 H144 N16 O48 -","16","2","LI1119","Elerman, Y.; Elmali, A.; Atakol, O.; Svoboda, I.","<i>N</i>-(2-Hydroxyphenyl)salicylaldimine","Acta Crystallographica Section C","1995","51","11","2344","2346","10.1107/S010827019500388X","","","0.71069","MoKα","","","0.09","","","0.09","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004158","4.845","0.001","5.517","0.001","23.033","0.003","90","","93.62","0.01","90","","614.44","0.19","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N O5 P -","- C10 H14 N O5 P -","- C20 H28 N2 O10 P2 -","2","1","MD1002","Chadha, R. K.; Ösapay, G.","(<i>S</i>)-[1-(Benzyloxycarbonylamino)ethyl]phosphonic Acid","Acta Crystallographica Section C","1995","51","11","2340","2342","10.1107/S0108270195004355","","","1.54178","CuKα","","","0.045","","","0.061","","","","","1.68","1.68","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004159","9.381","0.003","17.599","0.006","18.111","0.003","90","","95.09","0.03","90","","2978.3","1.5","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 N2 Ni O4 S2 -","- C28 H22 F6 N2 Ni O4 S2 -","- C112 H88 F24 N8 Ni4 O16 S8 -","4","0.5","MU1173","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","Redetermination of <i>cis</i>-Bis(4-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']nickel(II)","Acta Crystallographica Section C","1995","51","11","2260","2261","10.1107/S0108270195005877","","","0.71069","MoKα","","","0.064","","","0.074","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004160","8.459","0.002","9.132","0.003","9.903","0.002","95.22","0.02","84.14","0.02","104.72","0.02","734.3","0.3","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 N2 Ni O4 P2 S4 -","- C20 H34 N2 Ni O4 P2 S4 -","- C20 H34 N2 Ni O4 P2 S4 -","1","0.5","MU1176","Song, B.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","<i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-<i>S</i>,<i>S</i>')bis(4-methylpyridine)nickel(II)","Acta Crystallographica Section C","1995","51","11","2258","2259","10.1107/S0108270195005130","","","0.71073","MoKα","","","0.052","","","0.065","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004161","17.755","0.002","5.29","0.005","17.383","0.003","90","","121.48","0.01","90","","1392.4","1.4","298","2","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cd N4 O10 S2 -","- C24 H30 Cd N4 O10 S2 -","- C48 H60 Cd2 N8 O20 S4 -","2","0.5","MU1179","Lusvardi, G.; Menabue, L.; Saladini, M.","Cadmium(II) <i>N</i>-(<i>p</i>-Tolylsulfonyl)glutaminate","Acta Crystallographica Section C","1995","51","11","2287","2289","10.1107/S0108270195005385","","","0.71069","MoKα","","","0.041","","","0.038","","","","","0.56","0.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004162","24.4935","0.0004","24.4935","0.0004","19.1219","0.0006","90","","90","","120","","9934.9","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","chlorotriphenyltin","chlorotriphenyltin","","- C18 H15 Cl Sn -","- C18 H15 Cl Sn -","- C432 H360 Cl24 Sn24 -","24","1.33333","MU1190","Ng, S. W.","Rhombohedral Chlorotriphenyltin","Acta Crystallographica Section C","1995","51","11","2292","2293","10.1107/S0108270195006998","","","0.71073","MoKα","","0.0546","0.0344","","0.0871","0.0766","","","","1.088","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004163","5.561","0.002","8.159","0.003","11.353","0.004","90","","100.73","0.04","90","","506.1","0.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","0.5","NA1166","Ide, S.; Karacan, N.; Tufan, Y.","1,2-Bis(4-pyridyl)ethane","Acta Crystallographica Section C","1995","51","11","2304","2305","10.1107/S0108270195005221","","","0.71073","MoKα","","","0.035","","","0.038","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004164","38.4","0.01","38.4","0.01","12.092","0.009","90","","90","","120","","15442","13","80","2","80","2","","","","","","","","7","R 3 :H","R 3","146","","fac-tris(thiocyanato)-tris(triphenylphosphine oxide)iron(III)","","- C57 H45 Fe N3 O3 P3 S3 -","- C57 H45 Fe N3 O3 P3 S3 -","- C684 H540 Fe12 N36 O36 P36 S36 -","12","1.33333","NA1168","Olejnik, Z.; Lis, T.; Ondrejkovicová, I.","<i>fac</i>-Tris(isothiocyanato)tris(triphenylphosphine oxide)iron(III) at 80 K","Acta Crystallographica Section C","1995","51","11","2246","2249","10.1107/S0108270195006354","","","0.71069","MoKα","","","0.0289","","","0.0759","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004165","14.806","0.002","10.677","0.002","19.669","0.005","90","","108.55","0.02","90","","2947.8","1.1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F12 Fe N7 P2 -","- C24 H27 F12 Fe N7 P2 -","- C96 H108 F48 Fe4 N28 P8 -","4","1","NA1171","Boubekeur, K.; Deroche, A.; Lambert, F.; Morgenstern-Badarau, I.","{Tris[4-(2-pyridyl)-3-aza-3-butenyl]amine}iron(II) Bis(hexafluorophosphate), [Fe(py~3~tren)](PF~6~)~2~","Acta Crystallographica Section C","1995","51","11","2244","2246","10.1107/S010827019500597X","","","0.71073","MoKα","","","0.051","","","0.061","","","","","1.854","1.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004166","6.967","0.001","10.346","0.002","12.877","0.003","90","","94.12","0.03","90","","925.8","0.3","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cl4 N6 O2 Sn -","- C10 H18 Cl4 N6 O2 Sn -","- C20 H36 Cl8 N12 O4 Sn2 -","2","0.5","NA1172","Casellato, U.; Graziani, R.; Martelli, M.; Plazzogna, G.","Bis(cytosinium) Tetrachlorodimethylstannate(IV)","Acta Crystallographica Section C","1995","51","11","2293","2295","10.1107/S0108270195005312","","","0.7107","MoKα","","","0.028","","","0.028","","","","","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004167","7.75","0.004","13.131","0.006","10.912","0.003","90","","91.22","0.03","90","","1110.2","0.8","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","NA1173","Li, S.; Lundquist, K.; Soubbotin, N.; Stomberg, R.","2-Bromo-4-[2-bromo-(<i>E</i>)-propylidene]-6-methoxy-2,5-cyclohexadien-1-one","Acta Crystallographica Section C","1995","51","11","2366","2369","10.1107/S0108270195006317","","","0.71073","MoKα","","","0.029","","","0.031","","","","","1.19","1.19","","","","","has coordinates,has disorder","192026","2020-10-21","18:00:00",""
"2004168","12.811","0.002","7.771","0.001","18.098","0.002","90","","109.6","0.1","90","","1697.3","1.1","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl4 Cu N6 O2 -","- C10 H16 Cl4 Cu N6 O2 -","- C40 H64 Cl16 Cu4 N24 O8 -","4","0.5","NA1174","Valle, G.; Ettorre, R.; Peruzzo, V.","Bis(1-methylcytosinium) Tetrachlorocuprate(II)","Acta Crystallographica Section C","1995","51","11","2273","2275","10.1107/S0108270195006937","","","0.7107","MoKα","","","0.05","","","0.055","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004169","13.529","0.008","14.323","0.008","8.447","0.004","90","","91.93","0.02","90","","1635.9","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","II","4,6-Dimethoxy-3-methyl-dihydrotriazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","NA1180","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","4,6-Dimethoxy-3-methyl-1,3,5-triazin-2(3<i>H</i>)-one and 6-Methoxy-3,5-dimethyl-1,3,5-triazine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","11","2421","2424","10.1107/S0108270195007220","","","0.71069","MoKα","","0.1125","0.067","","0.1853","0.16","","","","1.064","1.232","1.232","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004170","8.362","0.004","14.356","0.008","7.168","0.004","90","","114.41","0.02","90","","783.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","III","6-Methoxy-3,5-dimethyl-tetrahydrotriazine-2,4,-dione","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","NA1180","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","4,6-Dimethoxy-3-methyl-1,3,5-triazin-2(3<i>H</i>)-one and 6-Methoxy-3,5-dimethyl-1,3,5-triazine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","11","2421","2424","10.1107/S0108270195007220","","","0.71069","MoKα","","0.1071","0.078","","0.1986","0.167","","","","1.13","1.241","1.241","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004171","6.908","0.006","9.662","0.001","14.012","0.002","84.53","0.01","74.5","0.03","86.98","0.03","896.8","0.8","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N8 O7 -","- C14 H18 N8 O7 -","- C28 H36 N16 O14 -","2","1","NS1005","Gallardo, H.; Meyer, E.; Vencato, I.","5-(2,4-Dihydroxyphenyl)tetrazole Sesquihydrate","Acta Crystallographica Section C","1995","51","11","2430","2432","10.1107/S0108270195007505","","","0.7107","Mo","","","0.0468","","","0.06","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004172","10.427","0.001","7.197","0.001","11.805","0.001","90","","99.755","0.008","90","","873.08","0.17","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H21 N7 -","- C16 H21 N7 -","- C32 H42 N14 -","2","1","OH1073","Saito, H.; Eda, M.; Sugio, S.; Ueda, Y.","Chiral <i>N</i>-(6-Amino-3-pyridyl)-<i>N</i>'-bicycloalkyl-<i>N</i>''-cyanoguanidine Derivative: a Novel Potassium-Channel Opener","Acta Crystallographica Section C","1995","51","11","2331","2333","10.1107/S010827019500031X","","","1.5418","CuKα","","","0.045","","","0.071","","","","","1.45","1.45","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004173","11.4603","0.0002","11.4603","0.0002","11.4603","0.0002","90","","90","","90","","1505.18","0.05","298","","","","","","","","","","","4","I a -3 d","","","","","","- Al2 Co3 O12 Si3 -","- Al2 Co3 O12 Si3 -","- Al16 Co24 O96 Si24 -","8","0.0833333","OH1074","Ohashi, H.; Osawa, T.; Sato, A.","Low-Pressure Polymorph of Co~3~Al~2~Si~3~O~12~","Acta Crystallographica Section C","1995","51","11","2213","2215","10.1107/S0108270195004719","","","0.71073","MoKα","","","0.021","","","0.03","","","","","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004174","10.494","0.001","10.494","0.001","8.939","0.002","90","","90","","90","","984.4","0.3","296","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B6 Cs Li O10 -","- B6 Cs Li O10 -","- B24 Cs4 Li4 O40 -","4","0.25","OH1076","Sasaki, T.; Mori, Y.; Kuroda, I.; Nakajima, S.; Yamaguchi, K.; Watanabe, S.; Nakai, S.","Caesium Lithium Borate: a New Nonlinear Optical Crystal","Acta Crystallographica Section C","1995","51","11","2222","2224","10.1107/S0108270195005798","","","0.71073","MoKα","","","0.023","","","0.035","","","","","2.37","2.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004175","5.23","0.003","6.822","0.001","5.175","0.002","91.54","0.02","117.51","0.03","90.46","0.03","163.66","0.12","293","","","","","","","","","","","5","P -1","-P 1","2","","magnesium sodium monophosphate","","- H Mg Na3 O8 P2 -","- H Mg Na3 O8 P2 -","- H Mg Na3 O8 P2 -","1","0.5","OH1084","Kawahara, A.; Yamakawa, J.; Yamada, T.; Kobashi, D.","Synthetic Magnesium Sodium Hydrogen Monophosphate: MgNa~3~H(PO~4~)~2~","Acta Crystallographica Section C","1995","51","11","2220","2222","10.1107/S0108270195006901","","","0.71069","MoKα","","","0.026","","","0.033","","","","","2.34","2.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004176","7.181","0.002","8.485","0.003","11.446","0.003","90","","103.11","0.02","90","","679.2","0.4","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Br N2 O -","- C13 H17 Br N2 O -","- C26 H34 Br2 N4 O2 -","2","1","PA1181","Belin, C.; Chauvet, A.; Leloup, J. M.; Ribet, J. P.; Maurel, J. L.","2-[2-(2-Ethyl-2,3-dihydrobenzofuranyl)]-2-imidazoline Hydrobromide","Acta Crystallographica Section C","1995","51","11","2439","2441","10.1107/S0108270195006706","","","0.7107","MoKα","","","0.0391","","","0.0494","","","","","0.87","0.87","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004177","9.61","0.003","11.468","0.003","9.043","0.002","109.26","0.03","98.36","0.02","73.59","0.03","901","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O8 -","- C17 H22 O8 -","- C34 H44 O16 -","2","1","PA1182","Bocelli, G.; Cantoni, A.; Costa, M.","Dimethyl 4,4-Bis(ethoxycarbonyl)-1,2-cyclopentanediylidenediacetate","Acta Crystallographica Section C","1995","51","11","2374","2376","10.1107/S010827019500669X","","","0.71069","MoKα","","0.1558","0.0436","","0.1071","0.0947","","","","0.7","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004178","21.184","0.005","21.184","0.005","15.412","0.004","90","","90","","90","","6916","3","291","2","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C256 H192 Cl16 N16 O48 -","16","1","PA1184","Palmer, R. A.; Richards, A. J.; Lisgarten, J. N.","2-Benzamido-3-(<i>p</i>-chlorophenyl)propenoic Acid (Antrex)","Acta Crystallographica Section C","1995","51","11","2338","2340","10.1107/S010827019500672X","","","1.54178","CuKα","","0.1133","0.0695","","0.3261","0.1838","","","","1.07","1.128","1.128","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004179","7.9184","0.001","8.9446","0.0014","10.861","0.002","109.41","0.009","107.918","0.006","90.336","0.006","685.31","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,4,7-Trimethyl-2,3-dihydro-4H-pyrido[4,3-e]-1,2,4-thiadiazinium 1,1-Dioxide Iodide","","- C9 H14 I N3 O2 S -","- C9 H14 I N3 O2 S -","- C18 H28 I2 N6 O4 S2 -","2","1","PA1187","Dupont, L.; Pirotte, B.; de Tullio, P.; Diouf, O.; Masereel, B.; Delarge, J.","2,4,7-Trimethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazinium 1,1-Dioxide Iodide","Acta Crystallographica Section C","1995","51","11","2412","2414","10.1107/S0108270195008006","","","1.5418","CuKα","","0.0743","0.0692","","0.2008","0.1896","","","","1.072","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004180","12.641","0.002","5.5304","0.001","13.615","0.003","90","","105.847","0.015","90","","915.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3,7-Dimethyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide inner salt","","- C8 H9 N3 O2 S -","- C8 H9 N3 O2 S -","- C32 H36 N12 O8 S4 -","4","1","PA1192","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3,7-Dimethyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2414","2416","10.1107/S010827019500802X","","","1.5418","CuKα","","0.0636","0.0454","","0.1281","0.1208","","","","0.948","1.063","1.063","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004181","7.3767","0.0007","8.1696","0.0007","8.5483","0.0007","82.557","0.009","83.195","0.007","84.162","0.005","505.27","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-Methyl-3-methylsulfanyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide Inner Salt","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C16 H18 N6 O4 S4 -","2","1","PA1194","Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","7-Methyl-3-methylthio-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazin-7-ium-4-ide 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2416","2417","10.1107/S0108270195008031","","","1.5418","CuKα","","0.0447","0.042","","0.1297","0.1145","","","","1.051","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004182","11.742","0.003","9.1","0.002","15.705","0.003","90","","90","","90","","1678.1","0.7","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H12 O3 -","- C8 H11 O3 -","- C64 H88 O24 -","8","1","PT1006","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","(±)-2-Oxocyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1995","51","11","2305","2307","10.1107/S0108270195006640","","","0.71073","MoKα","","","0.0446","","","0.0529","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004183","4.463","0.003","11.546","0.005","15.697","0.005","90","","95.75","0.05","90","","804.8","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-acetoxymethylpyrrole-2-carbaldehyde","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","PT1024","Blake, A. J.; McNab, H.; Parsons, S.; Thornley, C.","3-Acetoxymethylpyrrole-2-carbaldehyde","Acta Crystallographica Section C","1995","51","11","2348","2350","10.1107/S0108270195006238","","","0.71073","MoKα","","0.0873","0.0538","","0.1703","0.1244","","","","1.045","0.983","0.983","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004184","7.5018","0.001","17.358","0.004","5.6204","0.0004","90","","90","","90","","731.9","0.2","293","2","293","2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- S1.68 Se0.32 Ta3 -","- S1.673 Se0.327 Ta3 -","- S13.384 Se2.616 Ta24 -","8","","SE1065","Degen, T.; Harbrecht, B.","Ta~3~S~2{-~<i>x</i>}Se~<i>x~</i>, Partial Substitution of Selenium for Sulfur into a Tantalum-Rich Sulfide","Acta Crystallographica Section C","1995","51","11","2218","2220","10.1107/S0108270194009923","","","0.7093","MoKα","","0.0439","0.0222","","0.0425","0.0397","","","","0.916","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004185","13.719","0.002","7.726","0.001","3.875","0.001","90","","95.5","0.02","90","","408.83","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","sym-Tricyanobenzene","1,3,5-Tricyanobenzene","","- C9 H3 N3 -","- C9 H3 N3 -","- C18 H6 N6 -","2","1","SE1078","Reddy, D. S.; Panneerselvam, K.; Desiraju, G. R.; Carrell, H. L.; Carrell, C. J.","1,3,5-Tricyanobenzene","Acta Crystallographica Section C","1995","51","11","2352","2354","10.1107/S0108270195004483","","","0.7107","MoKα","","0.052","0.0428","","0.1328","0.1149","","","","0.628","0.611","0.611","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004186","8.575","0.002","20.711","0.004","16.583","0.003","90","","99.91","0.02","90","","2901.1","1","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 Ni O P2 -","- C26 H44 N2 Ni O P2 -","- C104 H176 N8 Ni4 O4 P8 -","4","1","SZ1022","Penney, J.; VanderLende, D. D.; Boncella, J. M.; Abboud, K. A.","<i>trans</i>-Ni(Mes)[N(Ph)C(O)N(H)CMe~3~](PMe~3~)~2~","Acta Crystallographica Section C","1995","51","11","2269","2271","10.1107/S0108270195004513","","","0.71073","MoKα","","","0.0571","","","0.0627","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004187","6.336","0.004","7.986","0.005","17.602","0.009","90","","92.88","0.06","90","","889.5","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-dinitro-2,2'-biimidazole","","- C12 H18 N8 O6 -","- C12 H18 N8 O6 -","- C24 H36 N16 O12 -","2","0.5","SZ1034","Bryan, C. D.; Scott, S.; Cordes, A. W.; Folkert, S. L.; Hester, C.; Collier, H.","4,4'-Dinitro-2,2'-biimidazole Dimethylformamide Solvate","Acta Crystallographica Section C","1995","51","11","2300","2301","10.1107/S0108270195004525","","","0.7107","MoKα","","0.14","0.051","","0.087","0.067","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004188","17.833","0.003","17.833","0.003","8.543","0.001","90","","90","","120","","2352.8","0.6","296","","","","","","","","","","","4","P 31","P 31","","","","","- C12 H10 N2 O -","- C12 H8 N2 O -","- C108 H72 N18 O9 -","9","3","TA1000","Tian, Y.-P.; Duan, C.-Y.; Xu, X.-X.; You, X.-Z.","Screw-Chain Structure of 1,10-Phenanthroline Hydrate, C~12~H~8~N~2~.H~2~O","Acta Crystallographica Section C","1995","51","11","2309","2312","10.1107/S010827019500549X","","","0.71073","MoKα","","","0.07","","","0.061","","","","","1.77","1.77","","","","","has coordinates","281832","2023-03-13","07:40:49",""
"2004189","13.887","0.002","8.121","0.001","16.201","0.003","90","","98.15","0.01","90","","1808.6","0.5","300","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C80 H100 N4 O8 S4 -","4","1","VJ1009","Das, B. C.; Pain (Biswas), S.; Biswas, G.; Ganguly, S. N.; Banerjee, A.; Duax, W. L.; Maji, B. B.; Ghatak, K. L.","Tropinyl 2-Isopropylbenzo[<i>b</i>]thiophene-3-carboxylate, C~20~H~25~NO~2~S","Acta Crystallographica Section C","1995","51","11","2386","2388","10.1107/S0108270195004872","","","0.71073","MoKα","","","0.04","","","0.041","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004190","11.346","0.002","12.305","0.001","14.327","0.001","90","","90","","90","","2000.2","0.4","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N5 O4 -","- C19 H22 Cl N5 O4 -","- C76 H88 Cl4 N20 O16 -","4","1","VJ1015","Das, A. K.; Bertolasi, V.","<i>N</i>-[1-Phenyl-2(<i>R</i>)-propyl]-2-chloroadenosine. An Activating Agent of the Adenosine A2 Receptor","Acta Crystallographica Section C","1995","51","11","2408","2409","10.1107/S0108270195004793","","","0.71069","MoKα","","","0.0366","","","0.0452","","","","","0.57","0.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004191","9.397","0.006","9.627","0.008","13.805","0.008","96.2","0.06","102.31","0.05","115.17","0.06","1076.1","1.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N8 S4 -","- C17 H20 N8 S4 -","- C34 H40 N16 S8 -","2","1","VJ1023","Biswas, G.; Chandra, T.; Avasthi, K.; Maulik, P. R.","1,3-Bis[4,6-bis(methylthio)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl]propane","Acta Crystallographica Section C","1995","51","11","2453","2455","10.1107/S0108270195006524","","","0.71073","MoKα","","","0.037","","","0.079","","","","","0.782","0.782","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004192","12.416","0.001","6.391","0.001","15.552","0.002","90","","90","","90","","1234.1","0.3","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Hg I2 N4 -","- C6 Hg I2 N4 -","- C24 Hg4 I8 N16 -","4","0.5","NA1153","Svensson, P. H.; Bengtsson-Kloo, L. A.; Stegemann, H.","(Hexamethylenetetramine)diiodomercury(II), HgI~2~.hmt","Acta Crystallographica Section C","1995","51","11","2289","2292","10.1107/S0108270195005567","","","0.7109","MoKα","","","0.0335","","","0.0344","","","","","2.07","2.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004193","7.346","0.001","5.87","0.002","15.959","0.003","90","","99.64","0.01","90","","678.5","0.3","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 F O3 S -","- C13 H17 F O3 S -","- C26 H34 F2 O6 S2 -","2","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","<i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.029","","","0.032","","","","","1.1","1.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004194","6.022","0.001","7.319","0.001","32.279","0.005","90","","90","","90","","1422.7","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 F O3 S -","- C14 H19 F O3 S -","- C56 H76 F4 O12 S4 -","4","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","<i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.044","","","0.046","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004195","6.576","0.002","7.517","0.002","8.227","0.003","89.88","0.05","70.69","0.05","74","0.05","367.1","0.3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N S2 -","- C5 H9 N S2 -","- C10 H18 N2 S4 -","2","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.047","","","0.045","","","","","0.539","0.539","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004196","6.312","0.002","10.036","0.003","11.887","0.004","90","","105.39","0.05","90","","726","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N S2 -","- C5 H9 N S2 -","- C20 H36 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.063","","","0.072","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004197","9.465","0.003","7.036","0.002","12.236","0.004","90","","93.15","0.05","90","","813.6","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N S2 -","- C6 H11 N S2 -","- C24 H44 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.062","","","0.074","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004198","8.583","0.003","8.71","0.003","17.03","0.006","90","","90","","90","","1273.1","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H7 N S2 -","- C4 H7 N S2 -","- C32 H56 N8 S16 -","8","2","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.045","","","0.04","","","","","1.209","1.209","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004199","9.351","0.003","9.098","0.003","10.838","0.003","90","","81.54","0.05","90","","912","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N S2 -","- C7 H13 N S2 -","- C28 H52 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.0352","","","0.0345","","","","","0.701","0.701","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004200","13.494","0.004","8.205","0.003","7.491","0.002","90","","90","","90","","829.4","0.4","293","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H11 N S2 -","- C6 H11 N S2 -","- C24 H44 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.0398","","","0.0383","","","","","0.556","0.556","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004201","9.432","0.001","12.08","0.002","12.542","0.002","97.98","0.01","96.42","0.01","107.87","0.01","1328.7","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N6 O4 -","- C29 H32 N6 O5 -","- C58 H64 N12 O10 -","2","1","AB1278","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","7-[3-(Dibenzylamino)-2-hydroxypropyl]-8-(furfurylamino)theophylline","Acta Crystallographica Section C","1995","51","12","2608","2610","10.1107/S0108270195008547","","","1.54184","CuKα","","","0.0563","","","0.0723","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004202","12.0126","0.0008","13.075","0.002","7.4562","0.0008","90","","90","","90","","1171.1","0.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","AS1193","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","7-Hydroxy-3-phenylcoumarin, C~15~H~10~O~3~","Acta Crystallographica Section C","1995","51","12","2712","2714","10.1107/S0108270195008821","","","1.54184","CuKα","","","0.038","","","0.043","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004203","12.421","0.008","12.67","0.007","18.45","0.009","90","","95.48","0.05","90","","2890","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 N2 O -","- C30 H48 N2 O -","- C120 H192 N8 O4 -","4","1","AS1196","Satake, K.; Hattori, T.; Kimura, M.; Kashino, S.","<i>N</i>-Acetyl-3,6-di-<i>tert</i>-butyl-2-(3,6-di-<i>tert</i>-butyl-3<i>H</i>-azepin-2-yl)-2,3-dihydro-1<i>H</i>-azepine","Acta Crystallographica Section C","1995","51","12","2707","2710","10.1107/S0108270195008833","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004204","18.248","0.001","4.442","0.003","15.913","0.002","90","","98.366","0.006","90","","1276.1","0.9","296","","","","","","","","","","","5","C 1 2 1","","","","","","- C4 H4 I N3 O -","- C4 H4 I N3 O -","- C32 H32 I8 N24 O8 -","8","2","AS1199","Okabe, N.; Tamaki, K.; Suga, T.","5-Iodocytosine","Acta Crystallographica Section C","1995","51","12","2696","2698","10.1107/S0108270195008845","","","0.71069","MoKα","","","0.04","","","0.045","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004205","13.464","0.001","6.225","0.001","13.476","0.001","90","","118.52","","90","","992.41","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.057","","","0.034","","","","","1.653","1.653","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004206","13.397","0.001","6.171","0.001","13.331","0.001","90","","118.44","0.01","90","","969.1","0.2","107","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.033","","","0.032","","","","","1.828","1.828","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004207","4.663","0.001","13.275","0.002","20.551","0.003","90","","90","","90","","1272.1","0.4","296","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","0.5","BK1105","Lalancette, R. A.; Thompson, H. W.; Coté, M. L.","<i>cis</i>-2-Oxo-1,3-cyclohexanedipropionic Acid: Structure and Hydrogen-Bonding Pattern of a δ-Keto 1,9-Diacid","Acta Crystallographica Section C","1995","51","12","2617","2619","10.1107/S0108270195008493","","","0.71073","MoKα","","","0.049","","","0.053","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004208","5.7473","0.0006","6.8421","0.0008","32.155","0.004","90","","90.634","0.008","90","","1264.4","0.3","297","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16.5 O3.25 -","- C14 H16.534 O3.267 -","- C56 H66.136 O13.068 -","4","1","BK1110","Coté, M. L.; Lalancette, R. A.; Long, D. J.; Thompson, H. W.","(±)-3-Oxo-<i>trans</i>-2-phenylcyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Partially Hydrated δ-Keto Acid","Acta Crystallographica Section C","1995","51","12","2615","2617","10.1107/S0108270195008213","","","0.71073","MoKα","","","0.056","","","0.06","","","","","1.32","1.32","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2004209","11.3031","0.0008","10.9569","0.0012","16.7039","0.0014","90","","105.644","0.006","90","","1992.1","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tribenzyltin acetate","Tribenzyltin acetate","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C92 H96 O8 Sn4 -","4","1","BK1129","Ferguson, G.; Spalding, T. R.; O'Dowd, A. T.; O'Shea, K. C.","Tribenzyltin Acetate, a Redetermination","Acta Crystallographica Section C","1995","51","12","2546","2548","10.1107/S010827019500816X","","","0.7107","MolybdenumKα","","0.0382","0.0261","","0.0724","0.0693","","","","1.068","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004210","8.571","0.001","8.842","0.001","16.607","0.001","90","","90","","90","","1258.6","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Cl N O4 -","- C9 H18 Cl N O4 -","- C36 H72 Cl4 N4 O16 -","4","1","BK1131","Weber, H. P.; Anderson, R. C.; Shapiro, M.; Villhauer, E. B.; Gullion, T.","Acetyl-<small>L</small>-carnitine Hydrochloride","Acta Crystallographica Section C","1995","51","12","2570","2572","10.1107/S0108270195008420","","","1.54184","CuKα","","","0.0543","","","0.0639","","","","","3.231","3.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004211","13.934","0.002","14.316","0.002","7.101","0.002","97.86","0.01","103.79","0.02","79.6","0.01","1346.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","7,19,28-trithiatetracyclo[11,11,7,1^3,23^,1^11,15^]tritriaconta- 1,3(32),11,12,14,23- hexaene-4,9,16,22,25,30-hexayne","","- C31 H20 Cl2 S3 -","- C30.55 H19.1 Cl1.1 S3 -","- C61.1 H38.2 Cl2.2 S6 -","2","1","BK1142","Mague, J. T.; Ensley, H. E.; Mahadevan, S.","A Precursor to Highly Unsaturated Cyclophanes: 7,19,28-Trithiatetracyclo[11.11.7.1^3,23^.1^11,15^]tritriaconta-1,3(32),11(33),12,14,23-hexaene-4,9,16,22,25,30-hexayne","Acta Crystallographica Section C","1995","51","12","2595","2598","10.1107/S0108270195009073","","","0.71073","MoKα","","0.074","0.054","","","0.085","","","","","3.085","3.085","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004212","12.131","0.001","6.167","0.0005","16.507","0.002","90","","108.69","0.01","90","","1169.8","0.2","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3-diphenyl-1-propyn-3-ol","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","BK1146","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","1,1-Diphenyl-3-propyn-1-ol","Acta Crystallographica Section C","1995","51","12","2674","2676","10.1107/S0108270195008171","","","1.54184","CuKα","","","0.045","","","0.054","","","","","2.566","2.566","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004213","9.511","0.001","11.716","0.001","12.138","0.002","67.68","0.02","73.19","0.02","73.45","0.02","1174.1","0.3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N7 O4 -","- C23 H33 N7 O4 -","- C46 H66 N14 O8 -","2","1","BM1000","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","8-Benzylamino-7-{2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}theophylline","Acta Crystallographica Section C","1995","51","12","2610","2612","10.1107/S0108270195007207","","","1.54184","CuKα","","","0.0552","","","0.061","","","","","1.98","1.98","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004214","8.854","0.004","9.832","0.004","27.11","0.008","90","","90","","90","","2360","1.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","BM1013","Judas, N.; Kaitner, B.; Mestrovic, E.","1,3-Diphenylpropan-1-one","Acta Crystallographica Section C","1995","51","12","2656","2658","10.1107/S0108270195008730","","","0.71073","MoKα","","","0.037","","","0.061","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004215","9.504","0.002","15.059","0.003","5.295","0.002","90","","90","","90","","757.8","0.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","3-methylphthalic anhydride","","","- C9 H6 O3 -","- C9 H6 O3 -","- C36 H24 O12 -","4","1","BM1019","Bocelli, G.; Cantoni, A.","3-Methylphthalic Anhydride","Acta Crystallographica Section C","1995","51","12","2652","2654","10.1107/S0108270195008869","","","1.54178","CuKα","","0.085","0.0323","","0.0746","0.0433","","","","0.647","0.929","0.929","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004216","6.688","0.001","6.688","0.001","18.479","0.007","90","","90","","120","","715.8","0.3","293","2","293","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","Europium(III) Tris-[dicyanoArgentate(I)]","","","- C12 H12 Ag6 Eu2 N12 O6 -","- C6 H6 Ag3 Eu N6 O3 -","- C12 H12 Ag6 Eu2 N12 O6 -","2","0.0833333","BR1098","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.; Patterson, H. H.; Shankle, G.","Europium(III) Tris[dicyanoargentate(I)] Trihydrate, Eu[Ag(CN)~2~]~3~.3H~2~O","Acta Crystallographica Section C","1995","51","12","2527","2529","10.1107/S0108270195008596","","","0.71073","MoKα","","0.0373","0.0351","","0.0924","0.0899","","","","1.13","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004217","14.3","0.002","6.43","0.001","8.754","0.002","90","","98.36","0.02","90","","796.4","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl O8 Pr3 Si2 -","- Cl0.5 O8 Pr2.5 Si2 -","- Cl2 O32 Pr10 Si8 -","4","0.5","BR1101","Guo, G.-C.; Wang, Y.-G.; Zhuang, J.-N.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.","Tripraseodymium Chloride Bis(orthosilicate), Pr~3~(SiO~4~)~2~Cl","Acta Crystallographica Section C","1995","51","12","2471","2473","10.1107/S0108270195008390","","","0.71069","MoKα","","","0.0323","","","0.04","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004218","7.121","0.004","7.121","0.004","11.4","0.007","90","","90","","120","","500.6","0.5","298","","298","","","","","","","","","4","P 63","P 6c","173","Potassium vanadium selenite","Potassium vanadium selenite","","- K O12 Se2 V3 -","- K O12 Se2 V3 -","- K2 O24 Se4 V6 -","2","0.333333","BR1110","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~","Acta Crystallographica Section C","1995","51","12","2473","2476","10.1107/S0108270195008407","","","0.71073","MolybdenumKα","","0.035","0.035","","0.027","0.027","","","","1.07","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004219","12.523","0.003","8.583","0.002","15.93","0.003","90","","90.52","0.03","90","","1712.2","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diflufenican","Diflufenican,2',4'-difluoro-2-(α,α,α,trifluoro-m-tolyloxy) nicotinanilide.","","- C19 H11 F5 N2 O2 -","- C19 H11 F5 N2 O2 -","- C76 H44 F20 N8 O8 -","4","1","CF1003","Pèpe, G.; Pfefer, G.; Boistelle, R.; Marchal, P.","Diflufenican, <i>N</i>-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide","Acta Crystallographica Section C","1995","51","12","2671","2672","10.1107/S010827019500789X","","","1.5418","CuKα","","0.057","0.057","","0.057","0.057","","","","0.84","0.84","0.84","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004220","17.601","0.011","17.601","0.011","12.235","0.008","90","","90","","90","","3790","4","288","","288","","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(N,N'-diphenylbenzamidinato)dicopper(II) dichloromethane solvate","","- C78 H64 Cl4 Cu2 N8 -","- C78 H60 Cl4 Cu2 N8 -","- C156 H120 Cl8 Cu4 N16 -","2","0.25","CF1005","Halfpenny, J.","Tetrakis(<i>N</i>,<i>N</i>'-diphenylbenzamidinato)dicopper(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","12","2542","2544","10.1107/S0108270195008651","","","0.7107","MoKα","","","0.056","","","0.056","","","","","1.427","1.427","","","","","has coordinates,has disorder","192027","2020-10-21","18:00:00",""
"2004221","18.479","0.004","14.511","0.005","14.389","0.004","90","","90","","90","","3858.4","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonylbis(3-aminopropyl)phenylphosphinemolybdenum(0)","","- C16 H21 Mo N2 O4 P -","- C16 H21 Mo N2 O4 P -","- C128 H168 Mo8 N16 O32 P8 -","8","1","CF1007","Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.","[Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0)","Acta Crystallographica Section C","1995","51","12","2480","2482","10.1107/S0108270195007426","","","0.71069","MoKα","","0.0886","0.0362","","0.1275","0.0858","","","","0.653","0.617","0.617","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004222","12.826","0.0005","16.9115","0.0004","9.0052","0.0003","90","","90","","90","","1953.29","0.11","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,1,3,4-tetramethyl-3-(1-methyl-1H-indole-3-yl)-2,2,3,4-tetrahydro-cyclo- penta[b]indole","","- C24 H26 N2 -","- C24 H26 N2 -","- C96 H104 N8 -","4","1","CF1009","Schollmeyer, D.; Fischer, G.; Pindur, U.","Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole","Acta Crystallographica Section C","1995","51","12","2572","2575","10.1107/S0108270195007761","","","1.54178","CuKα","","0.0504","0.0494","","0.1383","0.1362","","","","1.031","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004223","12.34","0.001","13.766","0.002","17.1648","0.0009","90","","92.258","0.009","90","","2913.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3-trimethyl-4-benzenesulfonyl-3-(1-benzenesulfonyl-1H-indole-3-yl)- 2,2,3,4-tetrahydro-cyclopenta[b]indole","","- C34 H30 N2 O4 S2 -","- C34 H30 N2 O4 S2 -","- C136 H120 N8 O16 S8 -","4","1","CF1009","Schollmeyer, D.; Fischer, G.; Pindur, U.","Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole","Acta Crystallographica Section C","1995","51","12","2572","2575","10.1107/S0108270195007761","","","0.71069","MoKα","","0.129","0.0502","","0.1446","0.1151","","","","1.008","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004224","7.774","0.016","7.973","0.012","8.053","0.017","94.28","0.15","109.45","0.19","105.67","0.13","445.7","1.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 N2 O2 S2 -","- C7 H4 N2 O2 S2 -","- C14 H8 N4 O4 S4 -","2","1","CF1016","Howie, R. A.; Wardell, J. L.","2-Nitrobenzenesulfenyl Thiocyanate","Acta Crystallographica Section C","1995","51","12","2651","2652","10.1107/S0108270195009474","","","0.71073","MoKα","","","0.07","","","0.071","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004225","14.04","0.003","5.804","0.001","17.728","0.002","90","","90","","90","","1444.6","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","CR1165","Kokila, M. K.; Jain, A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","4-(4-Chloroanilinomethyl)-6-methylcoumarin","Acta Crystallographica Section C","1995","51","12","2585","2586","10.1107/S0108270195006263","","","0.7093","MoKα","","","0.041","","","0.033","","","","","4.41","4.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004226","13.5","0.02","9.24","0.02","11.74","0.02","90","","104.4","0.2","90","","1418","5","20","","20","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","hexaammineruthenium(III)tristhiocyanate","","- C3 D18 N9 Ru S3 -","- C3 H24 N9 Ru S3 -","- C12 H96 N36 Ru4 S12 -","4","1","CR1174","Reynolds, P. A.; Figgis, B. N.; Schultz, A. J.","[Ru(ND~3~)~6~](SCN)~3~ at 20 K by Time-of-Flight Neutron Diffraction","Acta Crystallographica Section C","1995","51","12","2517","2520","10.1107/S0108270195007153","","neutron","","Pulsed_neutron","","0.133","0.133","","0.11","0.11","","","","0.84","0.84","0.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004227","11.357","0.004","11.643","0.004","17.638","0.009","98.49","","96.44","","117.36","0.01","2005.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Mo N4 O5 S2 -","- C38 H50 Mo N4 O5 S2 -","- C76 H100 Mo2 N8 O10 S4 -","2","1","CR1181","Li-Kao, J.; González, O.; Mariezcurrena, R.; Baggio, R.; Garland, M. T.; Carrillo, D.","A <i>cis</i>-Oxo[diphenylhydrazido(2‒)]molybdenum Complex: (Et~3~NH)~2~[MoO(NNPh~2~)(SC~6~H~4~CO~2~)~2~]","Acta Crystallographica Section C","1995","51","12","2486","2489","10.1107/S0108270195006007","","","0.71073","MoKα","","0.0344","0.0285","","0.0744","0.0702","","","","1.054","1.065","1.065","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004228","18.171","0.004","7.157","0.001","26.165","0.005","90","","90.2","0.03","90","","3402.7","1.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(2-nitrosophenyl)pyridine","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","CR1185","Rowan, K. R.; Holt, E. M.","3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)","Acta Crystallographica Section C","1995","51","12","2554","2559","10.1107/S0108270195005828","","","0.71073","MoKα","","0.2602","0.063","","0.158","0.1","","","","0.694","1.136","1.136","","","","","has coordinates","198484","2020-10-21","18:00:00",""
"2004229","13.184","0.003","7.768","0.002","17.736","0.004","90","","91.5","0.03","90","","1815.8","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2,6-dimethyl-3,5-dimethoxycarbonyl-4- (2-nitrophenyl)pyridine]dichlorocopper(II)","","- C34 H32 Cl2 Cu N4 O12 -","- C34 H32 Cl2 Cu N4 O12 -","- C68 H64 Cl4 Cu2 N8 O24 -","2","0.5","CR1185","Rowan, K. R.; Holt, E. M.","3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)","Acta Crystallographica Section C","1995","51","12","2554","2559","10.1107/S0108270195005828","","","0.71073","MoKα","","0.122","0.058","","0.1162","0.071","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004230","8.884","0.003","26.179","0.002","7.286","0.002","90","","90","","90","","1694.5","0.7","295","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","CR1190","Stomberg, R.; Li, S.; Lundquist, K.","(<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid","Acta Crystallographica Section C","1995","51","12","2698","2700","10.1107/S0108270195009140","","","0.71073","MoKα","","","0.034","","","0.041","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004231","11.274","0.002","14.2626","0.0009","12.375","0.001","90","0.006","114.56","0.01","90","0.008","1809.8","0.4","293","","293","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","fac-tricarbonylrheniumbis[μ-methylaminobis(difluorophosphine)]triphenyl phosphineplatinum(Re-Pt) trifluoromethanesulfonate","","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C48 H42 F22 N4 O12 P10 Pt2 Re2 S2 -","2","0.5","CR1192","Mague, J. T.; Lin, Z.","A Cationic Rhenium‒Platinum Complex: <i>fac</i>-Tricarbonylrhenium-bis[μ-methylaminobis(difluorophosphine)]-triphenylphosphineplatinum Trifluoromethanesulfonate","Acta Crystallographica Section C","1995","51","12","2508","2510","10.1107/S0108270195006470","","","0.71073","Mo-Kα","","0.046","0.028","","","0.039","","","","","1.327","1.327","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2004232","9.715","0.002","5.659","0.002","22.763","0.005","90","","100.1","0.01","90","","1232.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br N O4 -","- C11 H12 Br N O4 -","- C44 H48 Br4 N4 O16 -","4","1","CR1193","Rath, N. P.; Boehlow, T. R.; Spilling, C. D.","Ethyl 3-(3-Bromo-4-hydroxyphenyl)-2(<i>E</i>)-(hydroxyimino)propanoate","Acta Crystallographica Section C","1995","51","12","2654","2656","10.1107/S0108270195007335","","","0.71073","MoKα","","0.1553","0.0613","","0.1189","0.092","","","","0.97","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004233","11.914","0.002","17.96","0.002","11.997","0.002","90","","106.67","0.01","90","","2459.2","0.7","294","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cu6 N12 O2 S6 -","- C36 H42 Cu6 N12 O2 S6 -","- C72 H84 Cu12 N24 O4 S12 -","2","0.5","DE1000","Seth, S.; Das, A. K.; Mak, T. C. W.","Distant Copper‒Copper Interactions in a Metal-Organic Compound in the Solid State: Hexakis[(μ~3~-4,6-dimethylpyrimidine-2-thiolato-<i>N</i>:<i>S</i>:<i>S</i>)copper(I)] Dihydrate","Acta Crystallographica Section C","1995","51","12","2529","2532","10.1107/S0108270195005737","","","0.71073","MoKα","","","0.041","","","0.037","","","","","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004234","10.613","0.003","14.271","0.002","15.172","0.003","90","0.03","90","0.02","90","0.03","2297.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anomolin","8,8-dimethyl-9,10-di(2-methylbut-2-enoyloxy)-9,10-dihydropyrano [2,3-h] -[2H]-[1]-benzopyran-2-one","","- C24 H26 O7 -","- C24 H26 O7 -","- C96 H104 O28 -","4","1","DE1002","Padha, N.; Goswami, K. N.; Yadava, V. S.; Nethaji, M.","Anomalin. A Dihydropyranocoumarin Derivative from the Plant <i>Lingusticum elatum</i>","Acta Crystallographica Section C","1995","51","12","2710","2712","10.1107/S0108270195008341","","","0.7107","MoKα","","0.1964","0.0659","","0.2862","0.1638","","","","1.043","1.235","1.235","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004235","9.238","0.001","10.959","0.001","15.168","0.001","90","","90.64","0.01","90","","1535.5","0.2","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","DE1003","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Gupta, B. D.","5-Acetoxy-6-(1,1-dimethyl-2-propenyl)-2<i>H</i>-furo[2,3-<i>h</i>][1]benzopyran-2-one","Acta Crystallographica Section C","1995","51","12","2637","2639","10.1107/S0108270195008353","","","0.71073","MoKα","","","0.042","","","0.11","","","","","0.899","0.899","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004236","10.8234","0.0009","10.3459","0.0008","14.381","0.002","90","","63.025","0.009","90","","1435.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethylammonium Pentachlorobismuthate(III)","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C16 H64 Bi4 Cl20 N8 -","4","1","DU1124","Jarraya, S.; Ben Hassen, R.; Daoud, A.; Jouini, T.","Dimethylammonium Pentachlorobismuthate(III)","Acta Crystallographica Section C","1995","51","12","2537","2538","10.1107/S010827019500758X","","","0.71069","MoKα","","0.0594","0.0382","","0.0706","0.0668","","","","1.306","1.394","1.394","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004237","4.945","0.002","4.945","0.002","36.78","0.01","90","1","90","1","120","1.3","779","10","293","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ce2 Ni5 Zn2 -","- Ce2 Ni5 Zn2 -","- Ce12 Ni30 Zn12 -","6","0.166667","DU1126","Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.","Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System","Acta Crystallographica Section C","1995","51","12","2464","2466","10.1107/S010827019500655X","","","0.71073","MoKα","","0.064","0.055","","0.052","0.05","","","","1.684","1.785","1.785","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004238","5.045","0.003","5.045","0.003","16.434","0.007","90","","90","","120","","362.2","0.3","293","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ce Ni2 Zn -","- Ce Ni2 Zn -","- Ce6 Ni12 Zn6 -","6","0.25","DU1126","Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.","Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System","Acta Crystallographica Section C","1995","51","12","2464","2466","10.1107/S010827019500655X","","","0.71073","MoKα","","0.085","0.066","","0.034","0.034","","","","2.711","2.512","2.512","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004239","7.179","0.002","8.354","0.002","14.455","0.004","90","","93.8","0.02","90","","865","0.4","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Al3 Fe2 Si3 -","- Al3 Fe2 Si3 -","- Al24 Fe16 Si24 -","8","2","DU1127","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","Fe~2~Al~3~Si~3~","Acta Crystallographica Section C","1995","51","12","2461","2464","10.1107/S0108270195007864","","","0.71073","MoKα","","","0.017","","","0.0218","","","","","0.64","0.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004241","7.9572","0.0016","15.7497","0.0012","8.505","0.0015","90","","110.2","0.02","90","","1000.3","0.3","290","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N4 O -","- C9 H12 N4 O -","- C36 H48 N16 O4 -","4","1","FG1045","Bullerwell, W. L.; MacGillivray, L. R.; Zaworotko, M. J.; Vaughan, K.; Wilman, D. E. V.","1-(<i>p</i>-Carbamoylphenyl)-3,3-dimethyltriazene, an Antitumour Agent","Acta Crystallographica Section C","1995","51","12","2624","2627","10.1107/S0108270195008419","","","0.710939","MoKα","","","0.061","","","0.05","","","","","3.43","3.43","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004242","6.531","0.006","11.659","0.002","32.198","0.007","90","","90","","90","","2452","2","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η-Cyclopentadienyl-oxoperoxo(trimethylsilylmethyl)tungsten","","- C9 H16 O3 Si W -","- C9 H16 O3 Si W -","- C72 H128 O24 Si8 W8 -","8","1","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.084","","","0.114","","","","","4.1","4.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004243","19.326","0.002","9.831","0.001","23.485","0.006","90","","107.25","0.01","90","","4261.3","1.3","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","η-Pentamethylcyclopentadienyl-oxoperoxo- (trimethylsilylmethyl)tungsten - tetracyanoethylene","","- C34 H52 N4 O6 Si2 W2 -","- C36 H52 N4 O6 Si2 W2 -","- C144 H208 N16 O24 Si8 W8 -","4","0.5","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.04","","","0.051","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004244","5.415","0.002","11.618","0.005","15.558","0.009","90","","90","","90","","978.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Gylcyl-L-Glutamine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C28 H60 N12 O20 -","4","1","FG1069","Panneerselvam, K.; Soriano-García, M.","<small>L</small>-Glycyl-<small>L</small>-Glutamine Monohydrate","Acta Crystallographica Section C","1995","51","12","2718","2720","10.1107/S0108270195009218","","","1.54178","CuKα","","0.0341","0.034","","0.09","0.0898","","","","1.05","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004245","8.106","0.001","14.788","0.001","7.866","0.001","100.93","0.01","103.28","0.01","90.86","0.01","899.35","0.18","294","","294","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1,8-dichloro-9,10-dihydro-9,10- ethenoanthracene-11,12-dicarboxylate","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C40 H28 Cl4 O8 -","2","1","FG1082","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Photochemistry of Dimethyl 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","12","2685","2687","10.1107/S0108270195007943","","","1.54178","CuKα","","","0.036","","","0.052","","","","","3.96","3.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004246","9.756","0.001","10.556","0.001","8.83","0.001","107.22","0.01","105.31","0.01","95.4","0.01","822.99","0.17","294","","294","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1-chloro-4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8c,8d-dicarboxylate","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C40 H30 Cl2 O8 -","2","1","FG1085","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Dimethyl 1-Chloro-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8c,8d-dicarboxylate","Acta Crystallographica Section C","1995","51","12","2690","2691","10.1107/S0108270195008237","","","1.54178","CuKα","","","0.035","","","0.046","","","","","4.2","4.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004247","10.718","0.001","13.05","0.001","5.5074","0.0004","90.27","0.01","104.32","0.01","109.86","0.01","698.66","0.12","294","","294","","","","","","","","","3","P -1","-P 1","2","","3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5,8,5,8] octacosane OR 5,5-Dimethyl-1,3-dioxacyclohexan-2-spiro-1'-cyclooctadecan- 10'-spiro-2""-5"",5""-dimethyl-1"",3""-dioxacyclohexane OR Dispiro[5,5-dimethyl-1,3-dioxacyclohexane-2,1'-cyclooctadecan- 10',2""-5"",5""-dimethyl-1"",3""-dioxacyclohexane]","","- C28 H52 O4 -","- C28 H52 O4 -","- C28 H52 O4 -","1","0.5","FG1091","Lewis, T. J.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5.8.5.8]octacosane","Acta Crystallographica Section C","1995","51","12","2688","2690","10.1107/S0108270195008201","","","1.54178","CuKα","","","0.042","","","0.056","","","","","2.9","2.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004248","9.92","0.0007","11.2088","0.0008","11.7547","0.0006","90","","96.931","0.005","90","","1297.47","0.15","294.2","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","0.5","FG1093","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione","Acta Crystallographica Section C","1995","51","12","2687","2688","10.1107/S0108270195008663","","","1.54178","CuKα","","0.0904","0.0384","","0.0397","0.0366","","","","","2.339","2.339","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004249","12.452","0.002","16.182","0.002","8.118","0.002","90","","90.68","0.02","90","","1635.6","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thionocarboxylate","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","FG1099","Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.","Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate","Acta Crystallographica Section C","1995","51","12","2691","2694","10.1107/S0108270195009012","","","0.71069","MoKα","","","0.048","","","0.055","","","","","3","3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004250","7.911","0.001","14.457","0.001","14.813","0.001","90","","90.9","0.01","90","","1693.9","0.3","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thiolocarboxylate","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","FG1099","Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.","Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate","Acta Crystallographica Section C","1995","51","12","2691","2694","10.1107/S0108270195009012","","","1.54178","CuKα","","","0.042","","","0.064","","","","","2.8","2.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004251","15.225","0.004","8.652","0.003","9.306","0.002","90","","90","","90","","1225.8","0.6","296.2","","296.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","(2,3-benzobicyclo[2.2.1]hepta-2,5-diene)tricarbonylchromium","","- C14 H10 Cr O3 -","- C14 H10 Cr O3 -","- C56 H40 Cr4 O12 -","4","1","FG1100","Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.","<i>exo</i>-π-(Benzonorbornadiene)tricarbonylchromium","Acta Crystallographica Section C","1995","51","12","2565","2567","10.1107/S0108270195008432","","","0.7107","MoKα","","0.0755","0.0328","","0.0331","0.0287","","","","","1.579","1.579","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004252","11.13","0.001","13.157","0.007","23.077","0.002","90","","95.68","0.01","90","","3362.7","1.8","239","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","","","","","- C72 H84 Li2 O9 Sn3 -","- C74 H70 Li2 O7 Sn3 -","- C148 H140 Li4 O14 Sn6 -","2","0.5","HU1067","Smith, G. D.; Fanwick, P. E.; Rothwell, I. P.","A Trigonal Prismatic Cluster Compound of Tin and Lithium: Structure of [{Sn(OCMe~2~C~6~H~4~)~2~}~3~Li~2~O].2HOCMe~2~Ph","Acta Crystallographica Section C","1995","51","12","2501","2503","10.1107/S0108270193012302","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.244","1.244","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004253","6.886","0.003","7.106","0.003","10.591","0.004","75.23","0.04","84.72","0.03","69.46","0.03","469.3","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C24 H14 N2 O6 -","2","1","HU1087","Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.","3-Nitrodibenzofuran and 3-Iododibenzofuran","Acta Crystallographica Section C","1995","51","12","2680","2683","10.1107/S0108270194013338","","","0.71069","MoKα","","","0.047","","","0.056","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004254","6.245","0.002","13.399","0.005","11.899","0.003","90","","98.14","0.03","90","","985.6","0.5","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 I O -","- C12 H7 I O -","- C48 H28 I4 O4 -","4","1","HU1087","Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.","3-Nitrodibenzofuran and 3-Iododibenzofuran","Acta Crystallographica Section C","1995","51","12","2680","2683","10.1107/S0108270194013338","","","0.71069","MoKα","","","0.03","","","0.038","","","","","1.2","1.2","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004255","15.922","0.006","9.591","0.004","23.019","0.009","90","","102.34","0.03","90","","3434","2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 I O9 P -","- C33 H46 I O9 P -","- C132 H184 I4 O36 P4 -","4","1","HU1104","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.","Hexyltris(2,4,6-trimethoxyphenyl)phosphonium Iodide","Acta Crystallographica Section C","1995","51","12","2683","2685","10.1107/S0108270194013363","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004256","9.344","0.002","6.509","0.002","12.764","0.003","90","","108.53","0.02","90","","736.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,5-Dichlorocyclotetra(azathiene)","","- Cl2 N4 S4 -","- Cl2 N4 S4 -","- Cl8 N16 S16 -","4","1","HU1126","Žák, Z.; Ružička, A.","Redetermination of 1,5-Dichlorocyclotetra(azathiene) at 120 K","Acta Crystallographica Section C","1995","51","12","2478","2479","10.1107/S010827019500744X","","","0.71073","MoKα","","0.036","0.0253","","0.074","0.0696","","","","1.053","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004257","7.813","0.002","12.708","0.003","9.392","0.002","90","","101.14","0.02","90","","914.9","0.4","24","","24","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","HU1148","Cristiano, M. L. S.; Johnstone, R. A. W.; Pratt, M. J.","3-Hydroxy-2,6-dinitroacetophenone: an Unusual Substitution Pattern Resulting from Nitration of 3-Hydroxyacetophenone","Acta Crystallographica Section C","1995","51","12","2581","2583","10.1107/S0108270195007451","","","0.7107","MoKα","","","0.0656","","","0.0766","","","","","2.982","2.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004258","13.372","0.001","15.427","0.002","16.627","0.006","104.79","0.02","77.32","0.02","104.4","0.01","3167.3","1.3","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cu N P S5 -","- C29 H35 Cu N P S5 -","- C116 H140 Cu4 N4 P4 S20 -","4","2","JZ1010","Sheng, T.; Li, H.; Huang, Q.; Wu, X.","Tetraethylammonium (2-Thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>^4^,<i>S</i>^5^)triphenylphosphinecopper(I)","Acta Crystallographica Section C","1995","51","12","2524","2526","10.1107/S0108270195002885","","","0.71073","MoKα","","","0.069","","","0.089","","","","","1.58","1.58","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004259","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H23 N2 Ni O2 -","- C184 H184 N16 Ni8 O16 -","8","1","JZ1023","Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H.","{1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","12","2520","2522","10.1107/S0108270195007025","","","0.71093","MoKα","","0.1333","0.0377","","0.1202","0.0886","","","","0.998","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004260","12.658","0.001","14.186","0.002","9.527","0.001","90","","90","","90","","1710.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","[2(E)-1-amino-3-dimethylamino-3-phenylpropen-1-ylidene]pentacarbonyl","","- C16 H14 Cr N2 O5 -","- C16 H14 Cr N2 O5 -","- C64 H56 Cr4 N8 O20 -","4","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0639","0.0405","","0.1055","0.092","","","","1.033","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004261","10.834","0.002","11.745","0.002","12.222","0.002","108.09","0.02","98.22","0.02","100.11","0.02","1422.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","[2(E)-3-dibenzylamino-1-ethoxy-6,6-dimethylhept-2-ene-4-in-ylidene]","","- C30 H29 Cr N O6 -","- C30 H29 Cr N O6 -","- C60 H58 Cr2 N2 O12 -","2","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0358","0.0319","","0.0853","0.0825","","","","1.042","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004262","9.95","0.001","18.856","0.004","12.522","0.002","90","","94.3","0.01","90","","2342.7","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-oxa-cyclo-pentenylidene)pentacarbonylchromium","","- C25 H21 Cr N O6 -","- C25 H21 Cr N O6 -","- C100 H84 Cr4 N4 O24 -","4","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0705","0.0428","","0.1124","0.0897","","","","1.074","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004263","10.6502","0.0009","11.0148","0.0004","12.0539","0.0011","97.511","0.006","112.647","0.007","102.092","0.005","1240.56","0.18","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Bis(β-carboxymethylethyl)bis(quinolin-8-olato)tin","","- C26 H26 N2 O6 Sn -","- C26 H26 N2 O6 Sn -","- C52 H52 N4 O12 Sn2 -","2","1","JZ1055","Ng, S. W.; Kumar Das, V. G.","Bis(2-methoxycarbonylethyl)bis(quinolin-8-olato-<i>N</i>,<i>O</i>)tin","Acta Crystallographica Section C","1995","51","12","2492","2494","10.1107/S0108270195007347","","","0.71073","MoKα","","0.04","0.031","","0.0784","0.074","","","","1.068","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004264","13.2","0.003","15.0884","0.0013","16.57","0.005","90","","105.869","0.01","90","","3174.4","1.2","298","2","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","bromotriphenyltin.triphenylphosphine oxide","","- C36 H30 Br O P Sn -","- C36 H30 Br O P Sn -","- C144 H120 Br4 O4 P4 Sn4 -","4","1","JZ1056","Ng, S. W.","Bromotriphenyltin‒Triphenylphosphine Oxide (1/1)","Acta Crystallographica Section C","1995","51","12","2563","2565","10.1107/S0108270195007359","","","0.71073","MoKα","","0.0607","0.044","","0.1139","0.1034","","","","1.055","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004265","17.194","0.008","12.293","0.004","18.938","0.009","90","","138.54","0.03","90","","2650","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 F6 N4 O6 Pd2 -","- C20 H16 Cl2 F6 N4 O6 Pd2 -","- C80 H64 Cl8 F24 N16 O24 Pd8 -","4","1","JZ1060","Mossi, W.; Klaus, A. J.; Rys, P.; Currao, A.; Nesper, R.","Bis(μ-trifluoroacetato-<i>O</i>,<i>O</i>')bis{[3-chloro-6-methyl-2-(<i>N</i>-methyl-<i>N</i>-nitrosoamino)phenyl-<i>C</i>,<i>N</i>^N=O^]palladium(II)}","Acta Crystallographica Section C","1995","51","12","2549","2551","10.1107/S0108270195008559","","","0.71073","MoKα","","0.1099","0.0593","","0.1541","0.1191","","","","1.129","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004266","14.615","0.003","14.625","0.003","10.33","0.002","90","","107.67","0.02","90","","2103.8","0.8","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","The Muscarinic Antagonist, 8,8-Dimethyl-3',3'-Diphenyl-spiro[8- azoniabicyclo[3.2.1]octane-3,2'-[1,3]-dioxolane]-4'-one iodide (BVT44Me).","","- C23 H26 I N O3 -","- C23 H26 I N O3 -","- C92 H104 I4 N4 O12 -","4","1","JZ1064","Frydenvang, K.; Castiglione, M.","Muscarinic Antagonist: 8,8-Dimethyl-3',3'-diphenylspiro(8-azoniabicyclo[3.2.1]octane-3,2'-1',3'-dioxolane)-4'-one Iodide","Acta Crystallographica Section C","1995","51","12","2644","2647","10.1107/S0108270195008973","","","1.5418","CuKα","","0.0369","0.0322","","0.0849","0.0811","","","","1.057","1.067","1.067","","","","","has coordinates,has Fobs","288352","2023-12-15","18:37:27",""
"2004267","6.477","0.001","8.386","0.002","9.448","0.001","82.09","0.02","69.62","0.02","82.36","0.02","474.48","0.16","128","5","128","5","","","","","","","","6","P -1","-P 1","2","","Pentacarbonyl(difluoromethyl isocyanide)chromium","","- C7 H Cr F2 N O5 -","- C7 H Cr F2 N O5 -","- C14 H2 Cr2 F4 N2 O10 -","2","1","KA1080","Lentz, D.; Preugschat, D.","Pentacarbonyl(difluoromethyl isocyanide)chromium at 128 K","Acta Crystallographica Section C","1995","51","12","2482","2484","10.1107/S0108270195006536","","","0.71069","MoKα","","0.036","0.0334","","0.106","0.0971","","","","1.091","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004268","12.017","0.001","12.017","0.001","32.942","0.002","90","","90","","120","","4119.8","0.5","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C24 H40 Co N5 O4 -","- C24 H40 Co N5 O4 -","- C144 H240 Co6 N30 O24 -","6","1","KA1115","Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H.","The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State","Acta Crystallographica Section C","1995","51","12","2522","2524","10.1107/S0108270195007189","","","0.71069","MoKα","","0.0674","0.0471","","0.1665","0.1283","","","","1.093","0.941","0.941","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004269","10.64","0.003","10.618","0.004","5.976","0.002","90","","102.86","0.02","90","","658.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1,5-diamino-2,4,6,8-tetraazabicyclo[3.3.0]octan3,7-dione","","- C4 H8 N6 O2 -","- C4 H8 N6 O2 -","- C16 H32 N24 O8 -","4","1","KA1136","Modric, N.; Poje, M.; Vickovic, I.","<i>cis</i>-1,5-Diamino-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione","Acta Crystallographica Section C","1995","51","12","2594","2595","10.1107/S0108270195008122","","","1.54178","CuKα","","0.042","0.042","","0.1207","0.1207","","","","1.289","1.291","1.291","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004270","9.305","0.003","25.934","0.004","9.937","0.001","90","","99.02","0.01","90","","2368.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","KA1138","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","<i>N</i>-Methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide","Acta Crystallographica Section C","1995","51","12","2722","2723","10.1107/S0108270195009292","","","0.7107","MoKα","","0.089","0.059","","0.1784","0.1562","","","","0.985","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004271","8.83","0.001","11.658","0.002","11.492","0.002","90","","104.25","0.01","90","","1146.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","xanthyletin","8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","KA1139","Rudiño-Piñera, E.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.; Anaya, A. L.; García-Santana, C.; Mata, R.; Sánchez, P.","Xanthyletin","Acta Crystallographica Section C","1995","51","12","2720","2722","10.1107/S0108270195009309","","","1.54178","CuKα","","0.0501","0.044","","0.1259","0.1199","","","","1.129","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004272","8.863","0.001","13.429","0.001","15.791","0.001","90","","90","","90","","1879.5","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004273","8.363","0.001","10.453","0.001","12.27","0.001","90","","94.91","0.01","90","","1068.69","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.034","","","0.037","","","","","1.42","1.42","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004274","8.712","0.001","12.848","0.002","17.971","0.002","90","","90.39","0.01","90","","2011.5","0.4","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O4 -","- C19 H31 N O4 -","- C76 H124 N4 O16 -","4","2","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.051","","","0.053","","","","","1.402","1.402","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004275","8.228","0.001","15.31","0.002","17.027","0.001","90","","90","","90","","2144.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl N2 O3 -","- C19 H31 Cl N2 O4 -","- C76 H124 Cl4 N8 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.055","","","0.053","","","","","1.361","1.361","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004276","8.039","0.001","11.097","0.001","8.498","0.001","90","","98.92","0.01","90","","748.93","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.027","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004277","8.512","0.001","9.375","0.001","10.607","0.001","90","","105.49","0.01","90","","815.69","0.16","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.046","","","0.042","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004278","16.578","0.003","10.193","0.008","31.574","0.004","90","","100.92","0.01","90","","5239","4","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Cr O6 P3 S6 -","- C36 H66 Cr O6 P3 S6 -","- C144 H264 Cr4 O24 P12 S24 -","4","1","KH1031","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","Tris(<i>O</i>,<i>O</i>'-dicyclohexyl dithiophosphato-<i>S</i>,<i>S</i>')chromium(III)","Acta Crystallographica Section C","1995","51","12","2484","2486","10.1107/S0108270195007323","","","0.71069","MoKα","","","0.061","","","0.072","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004279","20.934","0.004","7.636","0.0004","12.966","0.002","90","","100.25","0.008","90","","2039.6","0.5","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O8 -","- C20 H18 N4 O8 -","- C80 H72 N16 O32 -","4","0.5","KH1032","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)","Acta Crystallographica Section C","1995","51","12","2629","2633","10.1107/S0108270195008092","","","0.71073","MoKα","","","0.033","","","0.097","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004280","7.892","0.001","9.49","0.002","10.115","0.002","91.83","0.001","91.46","0.001","100.35","0.002","744.5","0.2","298","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O8 -","- C13 H15 N3 O8 -","- C26 H30 N6 O16 -","2","1","KH1032","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)","Acta Crystallographica Section C","1995","51","12","2629","2633","10.1107/S0108270195008092","","","0.71073","MoKα","","","0.046","","","0.119","","","","","1","1","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004281","5.558","0.001","5.7557","0.0008","15.656","0.002","90","","92.61","0.01","90","","500.32","0.13","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","(E)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C18 H24 N4 O6 -","2","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.035","","","0.049","","","","","1.2","1.2","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004282","9.076","0.004","9.925","0.003","11.833","0.003","90","","109.61","0.02","90","","1004.1","0.6","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.037","","","0.057","","","","","1.39","1.39","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004283","12.16","0.005","12.482","0.005","14.755","0.005","68.172","0.005","80.307","0.005","61.792","0.005","1832","1.2","100","","100","","","","","","","","","4","P 1","P 1","1","","1,1,4,4-Tetraphenyl-1,3-butadiene-lithium-tris(dimethoxyethane)","","- C40 H52 Li O6 -","- C40 H52 Li O6 -","- C80 H104 Li2 O12 -","2","2","KH1040","Näther, C.; Bock, H.; Bolte, M.","Tris(1,2-dimethoxyethane)lithium 1,1,4,4-Tetraphenyl-1,3-butadiene Radical Anion","Acta Crystallographica Section C","1995","51","12","2510","2514","10.1107/S0108270195007396","","","0.7106","MoKα","","0.0623","0.0433","","0.1289","0.1198","","","","1.043","1.088","1.088","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004284","33.131","0.003","7.792","0.001","7.256","0.001","90","","90","","90","","1873.2","0.4","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4-nitroanilinium)tetrachlorocadmate","","- C12 H14 Cd Cl4 N4 O4 -","- C12 H14 Cd Cl4 N4 O4 -","- C48 H56 Cd4 Cl16 N16 O16 -","4","0.5","KH1041","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Nakamura, T.; Tanaka, M.; Matsumoto, M.","Bis(4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1995","51","12","2534","2537","10.1107/S0108270195007384","","","0.7107","MoKα","","","0.028","","","0.034","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004285","14.002","0.003","9.0989","0.0006","15.413","0.004","90","","114.24","0.01","90","","1790.5","0.6","298","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N2 O P S3 -","- C14 H23 N2 O P S3 -","- C56 H92 N8 O4 P4 S12 -","4","1","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0367","","0.1133","","","","","0.959","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004286","9.836","0.009","14.01","0.01","15.733","0.008","96.89","0.05","91.95","0.05","107.7","0.04","2045","3","298","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 N2 O P S5 -","- C14.5 H23 N2 O P S5 -","- C58 H92 N8 O4 P4 S20 -","4","2","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0475","","0.1306","","","","","1.045","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004287","19.34","0.04","19.34","0.04","25.688","0.016","90","","90","","120","","8321","2","120","1","120","1","","","","","","","","5","P 63/m","-P 6c","176","Terbium(III)cerium(IV)hydrogen sulphate hydrate","","","- Ce6 H153.66 O180.45 S27 Tb7 -","- Ce6 O181.72 S27 Tb7 -","- Ce12 O363.44 S54 Tb14 -","2","0.166667","LI1136","Barnes, J. C.","An Acid Terbium(III) Cerium(IV) Sulfate Hydrate, H~9~Tb~7~Ce~6~(SO~4~)~27~.72.2H~2~O","Acta Crystallographica Section C","1995","51","12","2466","2469","10.1107/S0108270195009267","","","0.71069","MoKα","","0.0953","0.0692","","0.1874","0.1631","","","","1.02","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004288","23.382","0.006","10.16","0.003","11.265","0.005","90","","92.78","0.03","90","","2673","1.6","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-chloro-3-(2-nitrophenylthio)butyl]triphenylstannane","","- C28 H26 Cl N O2 S Sn -","- C28 H26 Cl N O2 S Sn -","- C112 H104 Cl4 N4 O8 S4 Sn4 -","4","1","MU1188","Aupers, J. H.; Wardell, J. L.","[4-Chloro-3-(2-nitrophenylthio)butyl]triphenylstannane","Acta Crystallographica Section C","1995","51","12","2559","2561","10.1107/S0108270195008110","","","0.71073","MoKα","","","0.035","","","0.042","","","","","0.934","0.934","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004289","15.401","0.007","18.228","0.011","5.857","0.003","90","","90","","90","","1644.2","1.5","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Theophyllinato-N^7^)(dimethylphenylphosphine)gold(I)","(3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dionato-N^7^)- (dimethylphenylphosphine)gold(I)","","- C15 H18 Au N4 O2 P -","- C15 H18 Au N4 O2 P -","- C60 H72 Au4 N16 O8 P4 -","4","1","MU1194","Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R.","(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I)","Acta Crystallographica Section C","1995","51","12","2551","2554","10.1107/S0108270195008109","","","0.71073","MoKα","","0.0375","0.0351","","0.0849","0.0833","","","","1.12","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004290","9.561","0.002","16.723","0.004","10.536","0.003","90","","115.87","0.02","90","","1515.8","0.7","178","2","178","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Mo2 N2 O4 -","- C30 H44 Mo2 N2 O4 -","- C60 H88 Mo4 N4 O8 -","2","0.5","NA1159","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.","Non-Coordination of the Dimethylamino Group in a Dinuclear Molybdenum Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand","Acta Crystallographica Section C","1995","51","12","2496","2498","10.1107/S0108270195006822","","","0.71073","MoKα","","0.1282","0.0628","","0.222","0.1482","","","","1.009","1.028","1.028","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004291","9.184","0.002","14.793","0.001","10.495","0.002","90","","97.22","0.01","90","","1414.5","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl4 N10 O4 Sn -","- C18 H26 Cl4 N10 O4 Sn -","- C36 H52 Cl8 N20 O8 Sn2 -","2","0.5","NA1160","Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.; Couce, M. D.","Bis(1,1'-dimethyl-5-nitro-2,2'-biimidazol-3'-ium) <i>trans</i>-Tetrachlorodimethylstannate","Acta Crystallographica Section C","1995","51","12","2561","2563","10.1107/S0108270195005051","","","0.71073","MoKα","","","0.038","","","0.042","","","","","1.506","1.506","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004292","12.785","0.005","9.265","0.004","12.881","0.004","90","","97.39","0.03","90","","1513.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N O4 Rh -","- C15 H22 N O4 Rh -","- C60 H88 N4 O16 Rh4 -","4","1","NA1162","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.; Hölscher, H.","Intramolecular Coordination of the Dimethylamino Group in a Rhodium‒Oxalate Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand","Acta Crystallographica Section C","1995","51","12","2494","2496","10.1107/S0108270195006871","","","0.71073","MoKα","","0.1236","0.0605","","0.1694","0.1147","","","","1.126","1.181","1.181","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004293","11.772","0.005","9.346","0.003","17.186","0.008","90","0.03","91.7","0.04","90","0.03","1890","1.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)N-dihydroxyethylammonium 2-(2,6-dichlorophenylamino)phenylacetate","","- C18 H22 Cl2 N2 O4 -","- C18 H22 Cl2 N2 O4 -","- C72 H88 Cl8 N8 O16 -","4","1","NA1170","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine","Acta Crystallographica Section C","1995","51","12","2612","2615","10.1107/S010827019500730X","","","0.71069","MoKα","","0.1163","0.0344","","0.0998","0.0773","","","","1.006","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004294","44.117","0.009","10.65","0.002","18.898","0.004","90","","92.16","0.03","90","","8873","3","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H51 Cl3 N P3 Ru -","- C49 H50 Cl3.5 Cs N P3 Ru -","- C392 H400 Cl28 Cs8 N8 P24 Ru8 -","8","1","NA1178","Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.","<i>mer</i>,<i>trans</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>']dichloro(triphenylphosphine)ruthenium(II) 0.5-Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","12","2514","2517","10.1107/S0108270195007591","","","1.54184","CuKα","","","0.0339","","","0.0999","","","","","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004295","15.515","0.001","15.515","0.001","8.851","0.001","90","","90","","90","","2130.6","0.3","298","","","","","","","","","","","3","I -4","I -4","82","","","","- C13 H18 O -","- C13 H18 O -","- C104 H144 O8 -","8","1","NA1181","Bohnen, F. M.; Maier, W. F.; Krüger, C.","Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol","Acta Crystallographica Section C","1995","51","12","2639","2641","10.1107/S0108270195009590","","","0.71069","MoKα","","","0.034","","","0.102","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004296","9.597","0.004","11.288","0.004","11.984","0.004","92.28","0.03","109.58","0.03","99.1","0.03","1201.7","0.8","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 Cu2 N2 O14 -","- C50 H54 Cu2 N2 O14 -","- C50 H54 Cu2 N2 O14 -","1","0.5","NA1186","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.","Bis[(2-hydroxyethyl)dimethylammonium] Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis[(benzoato-<i>O</i>)cuprate(II)]","Acta Crystallographica Section C","1995","51","12","2544","2546","10.1107/S0108270195007682","","","0.71069","MoKα","","","0.048","","","0.0552","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004297","30.403","0.001","8.13","0.001","10.354","0.002","90","","101.889","0.001","90","","2504.4","0.6","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 N -","- C14 H11 Cl2 N -","- C112 H88 Cl16 N8 -","8","1","NA1187","Ülkü, D.; Tahir, M. N.; Menzek, A.; Balcı, M.","Unusual Chlorination During an Epoxidation Reaction of an Ethenocyclopropa[<i>b</i>]naphthalene Derivative","Acta Crystallographica Section C","1995","51","12","2714","2715","10.1107/S0108270195009383","","","0.71073","MoKα","","","0.056","","","0.05","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004298","7.213","0.002","9.102","0.003","10.08","0.004","80.49","0.03","86.85","0.03","74.32","0.02","628.4","0.4","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","[15]aneS2O3","1,4,7-trioxa-10,13-dithiacyclopentdecane","","- C10 H20 O3 S2 -","- C10 H20 O3 S2 -","- C20 H40 O6 S4 -","2","1","NA1189","Blake, A. J.; Radek, C.; Schröder, M.","Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","Acta Crystallographica Section C","1995","51","12","2668","2671","10.1107/S0108270195008079","","","0.71073","MoKα","","0.0284","0.0248","","0.0666","0.0622","","","","1.037","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004299","15.9074","0.0012","9.5181","0.0008","12.5255","0.001","90","","124.351","0.004","90","","1565.7","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[18]aneS2O4","1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","","- C12 H24 O4 S2 -","- C12 H24 O4 S2 -","- C48 H96 O16 S8 -","4","0.5","NA1189","Blake, A. J.; Radek, C.; Schröder, M.","Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","Acta Crystallographica Section C","1995","51","12","2668","2671","10.1107/S0108270195008079","","","0.71073","MoKα","","0.0535","0.0386","","0.1194","0.1058","","","","1.03","1.06","1.06","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004300","4.848","0.003","11.79","0.007","12.159","0.005","72.06","0.02","84.77","0.03","84.19","0.04","656.5","0.6","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","4-n-heptylbenzoic acid","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","NA1190","Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.","4-<i>n</i>-Heptylbenzoic Acid","Acta Crystallographica Section C","1995","51","12","2666","2668","10.1107/S0108270195007876","","","0.71073","MoKα","","0.2441","0.0672","","0.161","0.1057","","","","0.961","1.245","1.245","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004301","9.292","0.002","10.139","0.002","10.095","0.002","90","","91.59","0.03","90","","950.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trans-1-cyano-2-phenylcyclopropanecarboxamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","NA1194","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; López, M. P.","<i>trans</i>-1-Cyano-2-phenylcyclopropanecarboxamide","Acta Crystallographica Section C","1995","51","12","2703","2705","10.1107/S010827019500936X","","","0.71073","MoKα","","0.0713","0.0435","","0.1171","0.1005","","","","1.071","1.109","1.109","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004302","9.816","0.001","12.422","0.001","15.234","0.001","90","","90","","90","","1857.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-6-ethenyloctahydro-5,8- dihydroxy- 4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0714","0.0463","","0.1166","0.1043","","","","1.032","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004303","7.063","0.001","15.863","0.002","18.027","0.003","90","","90","","90","","2019.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-acetylmutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-acetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0696","0.0448","","0.0994","0.0887","","","","1.067","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004304","9.32","0.001","11.251","0.001","10.671","0.001","90","","109.266","0.008","90","","1056.29","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-bromoacetilmutilin","S-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-bromoacetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H33 Br O4 -","- C22 H33 Br O4 -","- C44 H66 Br2 O8 -","2","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","","0.0444","","0.0912","0.0776","","","","","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004305","16.208","0.002","16.208","0.002","5.8","0.002","90","","90","","90","","1523.7","0.6","292","","292","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","PB(REO4)2.THIOUREA","","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C4 H24 N8 O52 Pb6 Re12 S4 -","2","0.25","NS1002","Macícek, J.; Angelova, O.","Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea)","Acta Crystallographica Section C","1995","51","12","2539","2542","10.1107/S0108270195004653","","","0.71073","MoKα","","0.073","0.041","","0.132","0.049","","","","1.946","0.736","0.736","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004307","7.711","0.002","12.728","0.003","13.728","0.003","90","","90","","90","","1347.3","0.6","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.073","","","","","2.25","2.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004308","7.711","0.001","12.562","0.002","13.989","0.002","90","","90","","90","","1355.1","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.05","","","","","0.712","0.712","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004309","11.933","0.002","7.322","0.001","15.551","0.005","90","","92.01","0.03","90","","1357.9","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","PA1175","Tenon, J. A.; Carles, M.; Aycard, J.-P.","<i>N</i>-(5-Hydroxysalicylidène)-2,4,6-triméthylaniline","Acta Crystallographica Section C","1995","51","12","2603","2606","10.1107/S0108270195007967","","","0.71073","MoKα","","","0.041","","","0.041","","","","","0.73","0.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004310","12.582","0.002","12.582","0.002","3.937","0.002","90","","90","","90","","623.3","0.3","293","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- F4 K3 Nb3 O11 Ti2 -","- F K3 O2 Of12 St5 -","- F2 K6 O4 Of24 St10 -","2","0.125","PA1178","Ladjeroud, Z.; Balegroune, F.; Guehria, A.; Benziada, L.; Triki, S.","K~3~Nb~3~Ti~2~O~11~F~4~","Acta Crystallographica Section C","1995","51","12","2459","2461","10.1107/S0108270195007980","","","0.71073","MoKα","","","0.047","","","0.072","","","","","2.136","2.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004311","8.79","0.002","8.79","0.002","24.831","0.005","90","","90","","120","","1661.5","0.6","295","","","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C10 H18 Br4 N8 S2 Zn -","- C10 H18 Br4 N8 S2 Zn -","- C30 H54 Br12 N24 S6 Zn3 -","3","0.5","PA1185","Salas, J. M.; Romero, M. A.; Faure, R.","Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II)","Acta Crystallographica Section C","1995","51","12","2532","2534","10.1107/S0108270195007992","","","0.7107","MoKα","","","0.075","","","0.088","","","","","4.7","4.7","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2004312","5.175","0.001","11.172","0.002","14.057","0.002","82.46","0.01","81.7","0.02","77.03","0.02","779.6","0.2","292","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Br F N2 O2 -","- C17 H12 Br F N2 O2 -","- C34 H24 Br2 F2 N4 O4 -","2","1","PT1003","De Simone, C. A.; Zukerman-Schpector, J.; Pereira, M. A.; Cuong, L.-D.; Pitta, I. R.; Galdino, S. L.; Cavalcanti De Amorim, E. L.","3-(4-Bromobenzyl)-5-(4-fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section C","1995","51","12","2620","2621","10.1107/S0108270195006639","","","0.71073","MoKα","","","0.058","","","0.062","","","","","1.65","1.65","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2004313","9.625","0.002","5.805","0.001","12.665","0.003","90","","109.63","0.05","90","","666.5","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","PT1011","Seetharaman, J.; Rajan, S. S.","8,9-Dimethoxybenzo[<i>b</i>]carbazole","Acta Crystallographica Section C","1995","51","12","2568","2570","10.1107/S0108270195006627","","","1.54184","CuKα","","","0.056","","","0.063","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004314","6.226","0.0016","14.3627","0.0015","14.551","0.002","90","","92.783","0.017","90","","1299.6","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[2-(3,4-dichlorophenyl)vinyl]benzothiazole","","- C15 H9 Cl2 N S -","- C15 H9 Cl2 N S -","- C60 H36 Cl8 N4 S4 -","4","1","PT1025","Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.","2-[2-(3,4-Dichlorophenyl)vinyl]benzo[<i>d</i>]thiazole","Acta Crystallographica Section C","1995","51","12","2700","2702","10.1107/S0108270195008626","","","0.7093","MolybdenumKα","","0.082","0.049","","0.05","0.049","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004315","10.55","0.001","9.071","0.002","15.146","0.002","90","","103.37","0.01","90","","1410.2","0.4","213","","213","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl N2 O2 S -","- C13 H15 Cl N2 O2 S -","- C52 H60 Cl4 N8 O8 S4 -","4","1","PT1026","Chai, C. L. L.; Hockless, D. C. R.","<i>trans</i>-3-(<i>p</i>-Chlorophenylthio)-1,4,6-trimethylpiperazine-2,5-dione","Acta Crystallographica Section C","1995","51","12","2579","2581","10.1107/S0108270195007219","","","1.5418","CuKα","","0.0397","0.036","","0.0417","0.041","","","","","2.99","2.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004316","6.574","0.001","16.083","0.003","18.257","0.003","90","","90","","90","","1930.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C88 H116 N12 -","4","1","SX1000","Wolska, I.; Borowiak, T.","2-Cyano-2-phenylsparteine","Acta Crystallographica Section C","1995","51","12","2716","2718","10.1107/S0108270195007931","","","1.54178","CuKα","","0.0728","0.047","","0.1229","0.1229","","","","1.056","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004317","9.253","0.002","12.558","0.002","15.862","0.008","90","","90","","90","","1843.2","1.1","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.151","0.0737","","0.0788","0.0632","","","","","1.508","1.508","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004318","8.379","0.003","13.183","0.008","16.294","0.007","90","","90","","90","","1799.8","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-5-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.0479","0.0385","","0.0433","0.0411","","","","","1.285","1.285","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004319","10.458","0.002","16.969","0.003","9.739","0.002","90","","104.93","0.03","90","","1670","0.6","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8,16-Methano-16H-dinaphtho[2,1-d:1',2'-g][1,3]dioxocin-2,14-diol","","- C23 H16 O4 -","- C23 H16 O4 -","- C92 H64 O16 -","4","1","SZ1012","Klei, H. E.; Callegari, E.; Edwards, J. M.; Kelly, J. A.","8,16-Methano-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3]dioxocine-2,14-diol","Acta Crystallographica Section C","1995","51","12","2621","2624","10.1107/S0108270195003520","","","1.5418","CuKα","","0.0751","0.0561","","0.0796","0.073","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004320","12.391","0.005","17.316","0.004","21.908","0.007","90","","95.92","0.02","90","","4676","3","300","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S2 Sn -","- C24.5 H23 N1.5 O2 S3 Sn -","- C196 H184 N12 O16 S24 Sn8 -","8","2","TA1019","Ng, S. W.; Kumar Das, V. G.","(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthioacetato)triphenyltin","Acta Crystallographica Section C","1995","51","12","2489","2491","10.1107/S0108270194014575","","","0.71073","MoKα","","","0.05","","","0.055","","","","","0.446","0.446","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004321","5.487","0.003","10.51","0.004","17.796","0.009","100.61","0.04","96.03","0.04","97.23","0.04","992","0.9","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Br2 S5 -","- C17 H12 Br2 S5 -","- C34 H24 Br4 S10 -","2","1","TA1027","Yu, W.-T.; Qi, F.; Hong, L.","4,5-Bis(4-bromobenzylthio)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1995","51","12","2606","2608","10.1107/S0108270195007906","","","0.71073","MoKα","","","0.076","","","0.074","","","","","1.358","1.358","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004322","11.119","0.001","6.368","0.001","5.582","0.001","101.6","0.01","90.43","0.01","102.4","0.01","377.6","0.1","292","1","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrahydro-6-methyl-1H-thieno[3,4-b]pyrrol-2(3H)-one","","- C7 H11 N O S -","- C7 H11 N O S -","- C14 H22 N2 O2 S2 -","2","1","TA1030","Mackay, M. F.; Henderson, S. A.; Savage, G. P.","Tetrahydro-6-methyl-1<i>H</i>,3<i>H</i>-thieno[3,4-<i>b</i>]pyrrol-2-one, an Analogue of Biotin","Acta Crystallographica Section C","1995","51","12","2673","2674","10.1107/S0108270195008912","","","1.5418","CuKα","","","0.047","","","0.066","","","","","3.01","3.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004323","19.362","0.016","5.128","0.006","8.159","0.006","90","","100.11","0.06","90","","797.5","1.3","193","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 B O2 -","- C8 H9 B O2 -","- C32 H36 B4 O8 -","4","1","TA1036","Gainsford, G. J.; Meinhold, R. H.; Woolhouse, A. D.","Styrylboronic Acid","Acta Crystallographica Section C","1995","51","12","2694","2696","10.1107/S010827019500919X","","","0.71073","MoKα","","","0.055","","","0.055","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004324","8.281","0.002","12.084","0.003","14.491","0.005","90","","90","","90","","1450.1","0.7","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (S)-2-benzoyloxy-4-bromo-4-methylpentanoate","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C56 H68 Br4 O16 -","4","1","TA1037","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (<i>S</i>)-2-Benzoyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","12","2583","2584","10.1107/S0108270195008444","","","0.71073","MoKα","","0.0569","0.0418","","0.093","0.0874","","","","1.054","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004325","10.001","0.001","20.603","0.002","8.601","0.001","90","","90","","90","","1772.2","0.3","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","VJ1020","Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K.","<i>N</i>-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~","Acta Crystallographica Section C","1995","51","12","2641","2643","10.1107/S0108270195003702","","","1.5418","CuKα","","","0.037","","","0.038","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004326","15.185","0.002","9.81","0.001","12.823","0.002","90","","100.89","0.02","90","","1875.8","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N3 O3 -","- C18 H24 Cl N3 O3 -","- C72 H96 Cl4 N12 O12 -","4","1","VJ1025","Chandra Mohan, K.; Ravikumar, K.","Ondansetron Hydrochloride: a Competitive Serotonin 5-HT~3~ Receptor Blocker","Acta Crystallographica Section C","1995","51","12","2627","2629","10.1107/S0108270195008043","","","0.71073","MoKα","","","0.051","","","0.062","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004327","7.341","0.001","14.518","0.003","8.01","0.002","90","","94.01","0.03","90","","851.6","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N2 S2 -","- C6 H12 N2 S2 -","- C24 H48 N8 S8 -","4","0.5","VS1009","Shishkin, O. V.; Kolos, N. N.; Orlov, V. D.; Kuznetsov, V. P.; Lakin, E. E.","<i>o</i>-Phenylenediammonium Bis(hydrogensulfide)","Acta Crystallographica Section C","1995","51","12","2643","2644","10.1107/S0108270195006846","","","0.71073","MoKα","","","0.037","","","0.043","","","","","1.73","1.73","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004328","5.558","0.002","8.776","0.003","25.153","0.007","90","","95.46","0.02","90","","1221.3","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O6 -","- C25 H28 N4 O6 -","- C50 H56 N8 O12 -","2","1","VS1017","Mishnev, A. F.; Kemme, A. A.; Ancans, J. J.","<i>N</i>^{α^}-<i>tert</i>-Butoxycarbonyl-<i>N</i>^{τ^}-benzylhistidine <i>p</i>-Nitrobenzyl Ester","Acta Crystallographica Section C","1995","51","12","2601","2603","10.1107/S0108270195006834","","","0.71073","MoKα","","","0.049","","","0.049","","","","","0.988","0.988","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010348","4.515","0.001","9.503","0.003","11.618","0.002","90","","90.33","0.01","90","","498.5","0.2","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Lead diselenite","","","- O5 Pb Se2 -","- O5 Pb Se2 -","- O20 Pb4 Se8 -","4","1","","Koskenlinna, Markus; Valkonen, Jussi","Lead Diselenite","Acta Crystallographica Section C","1995","51","","01","03","","","","","","","","0.034","","","0.043","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010351","8.677","0.002","9.438","0.002","13.504","0.003","90","","96.45","0.03","90","","1098.9","0.4","130","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br Cl O2 -","- C10 H10 Br Cl O2 -","- C40 H40 Br4 Cl4 O8 -","4","2","","Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.","Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate","Acta Crystallographica Section C","1995","51","","134","135","","","","","","","","0.0401","","","0.1064","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010353","16.866","0.002","14.9176","0.0014","19.273","0.003","90","","98.022","0.012","90","","4801.6","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tris(triphenyltin)borate","Tris(triphenyltin)borate, B(OSnPh~3~)~3~","","- C54 H45 B O3 Sn3 -","- C54 H45 B O3 Sn3 -","- C216 H180 B4 O12 Sn12 -","4","1","AB1217","Ferguson, George; Spalding, Trevor R.; O'Dowd, Anna T.","Tris(triphenyltin)borate","Acta Crystallographica Section C","1995","51","1","67","70","10.1107/S0108270194010012","","","0.71069","MolybdenumKα","","0.067","0.03","","0.047","0.039","","","","","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010354","7.804","0.001","11.754","0.002","14.443","0.002","90","","103.57","0.02","90","","1287.8","0.3","300","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O -","- C30 H50 O -","- C60 H100 O2 -","2","1","AL1034","Dey, I.; Banerjee, A.","7β,8β-Epoxyfriedelane","Acta Crystallographica Section C","1995","51","1","119","121","10.1107/S0108270194003082","","","1.54182","CuKα","","","0.064","","","0.062","","","","","1.855","1.855","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010355","7.54","0.003","16.761","0.006","8.65","0.003","90","","99.56","0.02","90","","1078","0.7","293","","","","","","","","","","","6","P 1 a 1","P -2ya","","","","","- C10 H20 Mo2 N2 Na2 O16 -","- C10 H19 Mo2 N2 Na2 O16 -","- C20 H38 Mo4 N4 Na4 O32 -","2","1","AL1041","Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M.","Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate","Acta Crystallographica Section C","1995","51","1","32","34","10.1107/S0108270193012168","","","0.71069","MoKα","","","0.043","","","0.051","","","","","1.1","1.1","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010356","8.875","0.002","9.826","0.002","26.468","0.005","90","","90","","90","","2308.2","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br O2 P -","- C26 H28 Br O2 P -","- C104 H112 Br4 O8 P4 -","4","1","BK1011","Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V.","[1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br","Acta Crystallographica Section C","1995","51","1","105","107","10.1107/S0108270194005433","","","0.71073","MoKα","","","0.032","","","0.031","","","","","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010357","11.0301","0.0014","13.7114","0.0008","11.6012","0.0012","90","","108.603","0.006","90","","1662.9","0.3","290","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F6 Fe O2 P -","- C17 H13 F6 Fe O2 P -","- C68 H52 F24 Fe4 O8 P4 -","4","1","BK1012","Piorko, A.; Christie, S.; Zaworotko, M.J.","Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin","Acta Crystallographica Section C","1995","51","1","26","29","10.1107/S010827019400363X","","","0.7107","MoKα","","","0.061","","","0.061","","","","","5.38","5.38","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010358","18.027","0.009","11.706","0.005","19.845","0.004","90","","99.81","0.03","90","","4127","3","290","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C20 H20 F6 Fe O3 P -","- C20 H20 F6 Fe O2.5 P -","- C160 H160 F48 Fe8 O20 P8 -","8","1","BK1012","Piorko, A.; Christie, S.; Zaworotko, M.J.","Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin","Acta Crystallographica Section C","1995","51","1","26","29","10.1107/S010827019400363X","","","0.7107","MoKα","","","0.042","","","0.052","","","","","3.16","3.16","","","","","has coordinates","190970","2020-10-21","18:00:00",""
"2010360","13.532","0.0007","13.817","0.001","14.0625","0.0009","90","","117.906","0.006","90","","2323.5","0.3","297","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 Cl3 Cr N3 -","- C18 H39 Cl3 Cr N3 -","- C72 H156 Cl12 Cr4 N12 -","4","1","BK1036","Wu, F.-J.; Stahly, P.; Fronczek, F.R.; Watkins, S.F.","Trichloro(1,4,7-tri-<i>n</i>-butyl-1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>'')chromium","Acta Crystallographica Section C","1995","51","1","18","20","10.1107/S0108270194006268","","","0.71073","MoKα","","","0.03","","","0.035","","","","","1.475","1.475","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010363","14.639","0.001","5.523","0.001","10.722","0.001","90","","111.99","0.01","90","","803.8","0.2","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br H2 Li O5 -","- Br H2 Li O5 -","- Br8 H16 Li8 O40 -","8","1","","Blackburn, Anthony C.; Gerkin, Roger E.","Lithium Perbromate Monohydrate at 296 and 173 K","Acta Crystallographica Section C","1995","51","","03","07","","","","","","","","0.024","","","0.03","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010364","14.551","0.003","5.504","0.001","10.641","0.001","90","","111.93","0.01","90","","790.5","0.2","173","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br H2 Li O5 -","- Br H2 Li O5 -","- Br8 H16 Li8 O40 -","8","1","","Blackburn, Anthony C.; Gerkin, Roger E.","Lithium Perbromate Monohydrate at 296 and 173 K","Acta Crystallographica Section C","1995","51","","03","07","","","","","","","","0.022","","","0.031","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010365","25.767","0.002","13.897","0.002","19.867","0.004","90","","126.91","0.01","90","","5688.3","1.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C58 H80 O10 -","- C70 H116 O10 -","- C280 H464 O40 -","4","0.5","CR1139","Marsh, R.E.","A Revised Structure for Diethyl 5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)","Acta Crystallographica Section C","1995","51","1","157","158","10.1107/S0108270194004506","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010367","10.474","0.006","12.862","0.005","23.882","0.008","94.72","0.03","91.8","0.05","107.98","0.05","3044","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 I11 Mo4 P2 -","- C48 H40 I11 Mo4 P2 -","- C96 H80 I22 Mo8 P4 -","2","1","GR1011","Gordon, J.C.; Poli, R.","A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~]","Acta Crystallographica Section C","1995","51","1","14","18","10.1107/S0108270194004877","","","0.71073","MoKα","","","0.06","","","0.078","","","","","2.97","2.97","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010368","7.347","0.001","24.849","0.006","9.001","0.001","90","","107.14","0.01","90","","1570.3","0.5","213","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H2 O11 Os3 -","- C10 O11 Os3 -","- C40 O44 Os12 -","4","1","GR1012","Knoeppel, D.W.; Chung, J.-H.; Shore, S.G.","(μ-H)(μ-OH)Os~3~(CO)~10~","Acta Crystallographica Section C","1995","51","1","42","45","10.1107/S0108270194006128","","","0.71073","MoKα","","","0.026","","","0.031","","","","","0.947","0.947","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010369","12.3","0.02","9.02","0.011","11.482","0.004","117.1","0.1","88.79","0.02","97.88","0.01","1122","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N4 O5 S -","- C21 H26 N4 O5 S -","- C42 H52 N8 O10 S2 -","2","1","HA1098","Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S.","2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide","Acta Crystallographica Section C","1995","51","1","139","141","10.1107/S0108270194004981","","","0.71073","MoKα","","","0.054","","","0.058","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010370","24.725","0.008","14.544","0.002","13.95","0.001","90","","103.1","0.06","90","","4886","2","289","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C24 H21 F3 Fe2 O6 -","- C24 H21 F3 Fe2 O6 -","- C192 H168 F24 Fe16 O48 -","8","1","HL1042","Chen, J.; Zheng, P-J.; Yu, Y.; Chen, J-B.","[{μ-C(OC~2~H~5~)}(CO)~4~Fe~2~C{(OC~2~H~5~)(<i>p</i>-CF~3~C~6~H~4~)(η-C~7~H~7~)}]","Acta Crystallographica Section C","1995","51","1","34","37","10.1107/S0108270194000521","","","0.71073","MoKα","","","0.045","","","0.047","","","","","4.26","4.26","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010371","8.825","0.002","7.203","0.002","11.87","0.004","90","","92.38","0.02","90","","753.9","0.4","269","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O8 Zn -","- C16 H18 N4 O8 Zn -","- C32 H36 N8 O16 Zn2 -","2","0.5","HR1000","Okabe, N.; Sasaki, Y.","Zinc(II) Complex of Urocanic Acid","Acta Crystallographica Section C","1995","51","1","65","67","10.1107/S0108270194005056","","","0.71073","MoKα","","","0.032","","","0.042","","","","","1.72","1.72","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010372","14.235","0.003","11.368","0.003","13.86","0.003","90","","108.84","0.02","90","","2122.7","0.9","296","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl Cu F6 N5 P -","- C17 H19 Cl Cu F6 N5 P -","- C68 H76 Cl4 Cu4 F24 N20 P4 -","4","1","HR1018","Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M.","Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~","Acta Crystallographica Section C","1995","51","1","50","52","10.1107/S010827019400644X","","","0.71073","MoKα","","","0.045","","","0.048","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010374","12.955","0.004","14.217","0.006","16.494","0.009","98.82","0.05","112.57","0.05","101.15","0.03","2664","2","120","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu N4 O4 -","- C33 H26 Cu N4 O4 -","- C132 H104 Cu4 N16 O16 -","4","2","HR1021","Goetz-Grandmont, G.J.; Tayeb, A.; Matt, D.; Brunette, J.-P.; Toupet, L.","Folding onto Copper(II) of a Flexible Bis-Chelating 4-Acyl-pyrazol-5-olate","Acta Crystallographica Section C","1995","51","1","53","57","10.1107/S0108270194008024","","","0.71073","MoKα","","","0.082","","","0.072","","","","","2.841","2.841","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010375","8.669","0.002","10.553","0.002","13.535","0.003","96.34","0.02","105.91","0.03","105.02","0.02","1128","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","HU1057","Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X.","2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol","Acta Crystallographica Section C","1995","51","1","109","112","10.1107/S0108270194003719","","","0.71069","MoKα","","","0.056","","","0.066","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010376","15.664","0.002","15.664","0.002","16.97","0.002","90","","90","","90","","4163.8","0.9","293","","","","","","","","","","","5","I 41/a c d","I -4 2aw -bw","","","","","- C20 H20 Cl2 N4 Ru -","- C20 H20 Cl4 N4 Ru2 -","- C160 H160 Cl32 N32 Ru16 -","8","","HU1072","Elsegood, M.R.J.; Tocher, D.A.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","1995","51","1","40","42","10.1107/S0108270194006451","","","0.71073","MoKα","","","0.0453","","","0.032","","","","","2.2258","2.2258","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010377","11.007","0.001","19.1","0.003","14.976","0.002","90","","110.21","0.02","90","","2954.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 O3 S -","- C14 H24 O3 S -","- C112 H192 O24 S8 -","8","2","HU1088","Hellier, Desmond G.; Majid Motevalli","4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S","Acta Crystallographica Section C","1995","51","1","129","131","10.1107/S0108270194007171","","","0.71069","MoKα","","0.0912","0.0489","","0.1228","0.1153","","","","1.01","1.242","1.242","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010378","7.176","0.001","11.969","0.002","12.621","0.002","90","","90","","90","","1084","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","0.71069","MoKα","","0.113","0.0477","","0.1163","0.1046","","","","0.947","1.182","1.182","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010379","6.706","0.001","12.49","0.002","12.965","0.003","90","","90","","90","","1085.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","1.5418","CuKα","","0.1513","0.0457","","0.1025","0.0869","","","","0.841","1.216","1.216","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010382","9.97","0.002","14.049","0.003","19.013","0.004","90","","90","","90","","2663.1","1","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H45 N2 O3 P -","- C23 H45 N2 O3 P -","- C92 H180 N8 O12 P4 -","4","1","HU1102","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","A Chiral Bicyclic 1-Acetoxy Phosphonamide","Acta Crystallographica Section C","1995","51","1","86","88","10.1107/S0108270194007948","","","0.71073","MoKα","","","0.0495","","","0.0593","","","","","1.2","1.2","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010383","9.028","0.007","5.256","0.002","23.022","0.016","90","","92.78","0.06","90","","1091.1","1.2","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C44 H56 N8 O4 S4 -","4","1","KA1048","Kožíšek, J.; Ulický, L.; Marchalín, S.; Žák, Z.; Decroix, B.","4,6,7,8,9,9a-Hexahydro-11<i>H</i>-pyrido[1,2-<i>a</i>]thieno[2,3-<i>e</i>][1,3]diazepin-11(10<i>H</i>)-one","Acta Crystallographica Section C","1995","51","1","151","152","10.1107/S0108270194001812","","","1.54178","CuKα","","","0.0477","","","0.056","","","","","6.2","6.2","","","","","has coordinates","198434","2020-10-21","18:00:00",""
"2010385","9.15","0.004","17.465","0.006","12.098","0.005","89.99","0.02","106.89","0.02","89.99","0.02","1849.9","1.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","KA1072","Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G.","5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one","Acta Crystallographica Section C","1995","51","1","131","134","10.1107/S010827019400497X","","","0.7107","MoKα","","","0.05","","","0.058","","","","","0.87","0.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010386","15.606","0.002","10.624","0.002","13.499","0.002","90","","98.89","0.01","90","","2211.2","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","LI1101","Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T.","Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate","Acta Crystallographica Section C","1995","51","1","112","114","10.1107/S010827019400524X","","","0.71069","MoKα","","","0.037","","","0.037","","","","","0.873","0.873","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010387","18.585","0.003","9.562","0.001","15.012","0.004","90","","131.83","0.03","90","","1987.8","1.1","293","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H7 N O9 Ru3 -","- C15 H7 N O9 Ru3 -","- C60 H28 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.037","","","0.05","","","","","1.876","1.876","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010388","10.971","0.002","11.034","0.002","18.1","0.005","90","","90","","90","","2191.1","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C17 H11 N O9 Ru3 -","- C17 H11 N O9 Ru3 -","- C68 H44 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.028","","","0.04","","","","","1.394","1.394","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010389","11.979","0.002","12.773","0.002","37.264","0.006","90","","90","","90","","5701.7","1.6","173","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Cl Si3 Zr -","- C24 H39 Cl Si3 Zr -","- C192 H312 Cl8 Si24 Zr8 -","8","1","MU1105","Lukens, Wayne","Chlorotris(trimethylsilylcyclopentadienyl)zirconium","Acta Crystallographica Section C","1995","51","1","10","12","10.1107/S0108270194007547","","","0.71073","MoKα","","","0.0467","","","0.0585","","","","","1.999","1.999","","","","","has coordinates,has disorder","200180","2020-10-21","18:00:00",""
"2010390","7.079","0.003","14.29","0.004","14.828","0.005","90","","93.22","0.03","90","","1497.6","0.9","128","5","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Co N2 O4 -","- C14 H11 Co N2 O4 -","- C56 H44 Co4 N8 O16 -","4","1","MU1106","Brammer, L.; Zhao, D.","Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1995","51","1","45","48","10.1107/S0108270194005858","","","0.71073","MoKα","","","0.0417","","","0.044","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010391","19.528","0.005","9.518","0.002","7.408","0.002","90","","90","","90","","1376.9","0.6","128","5","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H17 Co N2 O4 -","- C12 H21 Co N2 O4 -","- C48 H84 Co4 N8 O16 -","4","0.5","MU1106","Brammer, L.; Zhao, D.","Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1995","51","1","45","48","10.1107/S0108270194005858","","","0.71073","MoKα","","","0.0452","","","0.0455","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010392","19.142","0.008","20.759","0.004","23.645","0.01","90","","90","","90","","9396","6","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C104 H88 Au2 Cl6 Fe3 P6 -","- C104 H88 Au2 Cl6 Fe3 P6 -","- C416 H352 Au8 Cl24 Fe12 P24 -","4","0.5","MU1114","Houlton, A.; Mingos, D.M.P.; Murphy, D.M.; Williams, D.J.","[Au~2~Cl~2~(fdpp)~3~], a Structural Intermediate in the Assembly of Gold‒Phosphine Chain Polymers","Acta Crystallographica Section C","1995","51","1","30","32","10.1107/S0108270194005962","","","0.71073","MoKα","","","0.0496","","","0.0438","","","","","1.16","1.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010393","15.743","0.001","10.3","0.001","15.83","0.001","90","","104.638","0.007","90","","2483.6","0.3","293","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H60 Mo O P4 -","- C57.2 H52 Mo O0.8 P4 -","- C114.4 H104 Mo2 O1.6 P8 -","2","0.5","MU1119","Pombeiro, A.J.L.; Hills, A.; Hughes, D.L.; Richards, R.L.","[MoH~4~(dppe)~2~].thf (dppe = Ph~2~PCH~2~CH~2~PPh~2~; thf = Tetrahydrofuran)","Acta Crystallographica Section C","1995","51","1","23","26","10.1107/S0108270194007559","","","0.71069","MoKα","","","0.032","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010394","8.214","0.001","10.264","0.001","13.138","0.003","96.03","0.01","87.13","0.01","110.18","0.01","1033.8","0.3","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N10 Ni O -","- C20 H18 N10 Ni O -","- C40 H36 N20 Ni2 O2 -","2","1","NA1087","Urtiaga, M.K.; Arriortua, M.I.; Muro, I.G.De.; Cortes, R.","Diazidobis(2,2'-bipyridine)nickel(II) Monohydrate","Acta Crystallographica Section C","1995","51","1","62","65","10.1107/S0108270194005159","","","0.71069","MoKα","","","0.035","","","0.038","","","","","1.23","1.23","","","","","has coordinates","191098","2020-10-21","18:00:00",""
"2010395","18.499","0.004","6.2149","0.0009","26.45","0.01","90","","103.16","0.03","90","","2961.1","1.4","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","4","OH1042","Ohishi, H.; Sakamoto, Y.; Harusawa, S.; Yoneda, R.; Kurihara, T.","(13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol and its Unusual Packing Style","Acta Crystallographica Section C","1995","51","1","135","139","10.1107/S0108270194000715","","","1.5418","CuKα","","","0.0615","","","0.0675","","","","","1.232","1.232","","","","","has coordinates","205900","2020-10-21","18:00:00",""
"2010396","15.963","0.004","15.963","0.004","8.525","0.003","90","","90","","90","","2172.3","1.1","124","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C6.5 H13.75 N0.25 Na O6 Si -","- C6.5 H13.75 N0.25 Na O6 Si -","- C52 H110 N2 Na8 O48 Si8 -","8","1","OH1063","Gainsford, G.J.; Kemmitt, T.; Milestone, N.B.","Sodium Bis[1,2-ethanediolato(2‒)](hydroxyethoxo)silicate(1‒) Acetonitrile Solvate, Na[Si(C~2~H~4~O~2~)~2~(C~2~H~5~O~2~)].0.25C~2~H~3~N","Acta Crystallographica Section C","1995","51","1","8","10","10.1107/S010827019400702X","","","0.71073","MoKα","","","0.028","","","0.033","","","","","0.93","0.93","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2010397","11.677","0.002","7.064","0.002","17.078","0.002","90","","94.22","0.02","90","","1404.9","0.5","143","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 Ni O14 S2 -","- C20 H42 Ni O14 S2 -","- C40 H84 Ni2 O28 S4 -","2","1","OH1067","Henderson, W.; Nicholson, B.K.","Hexaaquanickel(II) <small>D</small>-Camphor-10-sulfonate","Acta Crystallographica Section C","1995","51","1","37","40","10.1107/S0108270194006542","","","0.71073","MoKα","","","0.0491","","","0.0721","","","","","1.038","1.038","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010398","12.615","0.003","11.408","0.002","11.99","0.003","90","","98.78","0.01","90","","1705.3","0.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 Cl3 Co N5 O8 -","- C8 H21 Cl3 Co N5 O8 -","- C32 H84 Cl12 Co4 N20 O32 -","4","1","OH1069","Giannos, M.; Fallon, G.D.; Spiccia, L.","[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-<i>N</i>'-(2-aminoethylidene)ethane-1,2-diamine]chlorocobalt(III) Perchlorate","Acta Crystallographica Section C","1995","51","1","48","50","10.1107/S0108270194006189","","","0.7107","MoKα","","","0.038","","","0.038","","","","","1.652","1.652","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010399","8.67","0.003","3.902","0.002","10.463","0.001","90","","95.32","0.02","90","","352.4","0.2","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C12 H8 N4 S4 -","2","0.5","PA1078","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","5,5'-Bithiazole and 2,5'-Bithiazole","Acta Crystallographica Section C","1995","51","1","76","77","10.1107/S0108270194002969","","","0.71069","MoKα","","","0.031","","","0.038","","","","","0.508","0.508","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010400","5.77","0.003","5.923","0.002","21.056","0.001","90","","90","","90","","719.6","0.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C24 H16 N8 S8 -","4","1","PA1078","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","5,5'-Bithiazole and 2,5'-Bithiazole","Acta Crystallographica Section C","1995","51","1","76","77","10.1107/S0108270194002969","","","0.71069","MoKα","","","0.041","","","0.054","","","","","2.3","2.3","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010401","5.673","0.002","6.172","0.002","11.507","0.001","90","","61.79","","90","","355.05","0.17","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C6 H4 N2 S2 -","- C4 H2 N2 S4 -","- C8 H4 N4 S8 -","2","0.5","PA1079","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate","Acta Crystallographica Section C","1995","51","1","72","75","10.1107/S0108270194002970","","","0.71069","MoKα","","","0.039","","","0.04","","","","","0.465","0.465","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010402","19.249","0.002","10.073","0.002","14.701","0.001","90","","97.93","0.02","90","","2823.2","0.7","293","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C16 H20 Cl2 Cu N4 O10 S6 -","- C12 H16 Cl2 Cu N4 O10 S10 -","- C48 H64 Cl8 Cu4 N16 O40 S40 -","4","0.5","PA1079","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate","Acta Crystallographica Section C","1995","51","1","72","75","10.1107/S0108270194002970","","","0.71069","MoKα","","","0.076","","","0.077","","","","","2.34","2.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010403","11.41","0.001","7.663","0.001","17.404","0.002","90","","103.31","0.01","90","","1480.8","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C64 H64 N16 O8 -","8","2","PA1100","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","2-Hydroxymethylbenzimidazole","Acta Crystallographica Section C","1995","51","1","115","116","10.1107/S0108270194006001","","","1.5418","CuKα","","","0.0425","","","0.057","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010404","9.631","0.002","5.491","0.001","9.895","0.001","90","","92.04","0.01","90","","522.95","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 O2 S5 -","- C7 H6 O2 S5 -","- C14 H12 O4 S10 -","2","1","PA1109","Faulmann, C.; Cassoux, P.; Kotov, A.I.; Yagubskii, E.B.","4a,6,7,8a-Tetrahydro[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-<i>b</i>][1,4]dioxine-2-thione. A Precursor for the Preparation of New Donor Molecules and Derived Conducting Cation Radical Salts","Acta Crystallographica Section C","1995","51","1","149","151","10.1107/S0108270194007286","","","0.71069","MoKα","","","3.9","","","4.5","","","","","0.89","0.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010406","7.442","0.001","22.709","0.002","9.738","0.001","90","","101.22","0.01","90","","1614.3","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","PA1113","Wallet, J.-C.; Molins, E.; Miravitlles, C.","1-Phenyl-3-(3,4,5-trimethoxyphenyl)-1,3-propanedione","Acta Crystallographica Section C","1995","51","1","103","104","10.1107/S0108270194007687","","","0.71073","MoKα","","","0.043","","","0.059","","","","","2.07","2.07","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010407","8.2513","0.0008","10.5006","0.0013","9.309","0.0008","90","","102.849","0.011","90","","786.37","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 S -","- C18 H16 O3 S -","- C36 H32 O6 S2 -","2","1","","R. Retoux; L. Girodier; F. Rouessac","(-)-(SS)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol","Acta Crystallographica Section C","1995","51","","146","148","","","","","","","","0.0329","","","0.0912","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010408","3.992","0.001","24.356","0.002","13.071","0.001","90","","90.55","0.01","90","","1270.8","0.3","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","PA1116","Wallet, J-C.; Molins, E.; Miravitlles, C.","2'-Hydroxy-2-methoxychalcone","Acta Crystallographica Section C","1995","51","1","123","125","10.1107/S010827019400805X","","","0.71073","MoKα","","","0.043","","","0.055","","","","","1.8","1.8","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010409","8.6439","0.0004","19.5142","0.0007","10.5033","0.0004","90","","101.723","0.004","90","","1734.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0365","","","0.0925","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010410","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0432","","","0.0852","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010411","7.968","0.0014","8.1104","0.0011","23.761","0.003","90","","90","","90","","1535.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","R. Retoux; P. Hayes; C. Maignan","(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene","Acta Crystallographica Section C","1995","51","","93","94","","","","","","","","0.0514","","","0.1337","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010412","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","P. Gosselin; E. Bonfand; C. Maignan; R. Retoux","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica Section C","1995","51","","94","96","","","","","","","","0.0419","","","0.1108","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010414","11.83","0.02","8.36","0.02","18.32","0.04","90","","71.55","0.03","90","","1719","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Chromene","8,8-diphenyl-[8H]-pyrano[3,2-f] quinoline","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","PA1125","Aldoshin, Sergey; Chuev, Igor; Utenyshev, Andrei; Lokshin, Vladimir; Pozzo, Jean Luc; Pèpe, Gérard; Guglielmetti, R.","A Photochromic Pyrido-Annulated 2,2-Diphenylchromene","Acta Crystallographica Section C","1995","51","1","141","143","10.1107/S0108270194008231","","","0.71069","MoKα","","0.0764","0.0547","","0.2335","0.0547","","","","0.681","0.766","0.766","","","","","has coordinates","198843","2020-10-21","18:00:00",""
"2010415","7.082","0.01","10.065","0.008","14.559","0.01","96.03","0.06","94.13","0.09","107.59","0.09","977.9","1.8","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Cl N2 S4 Sn -","- C12 H23 Cl N2 S4 Sn -","- C24 H46 Cl2 N4 S8 Sn2 -","2","1","SE1051","Vrabel, V.; Kello, E.; Holecek, J.; Sivy, J.; Lokaj, J.","Chlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(vinyl)tin(IV)","Acta Crystallographica Section C","1995","51","1","70","72","10.1107/S0108270194006293","","","0.71069","MoKα","","","0.038","","","0.046","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010416","13.665","0.001","14.68","0.002","19.539","0.002","94.965","0.006","104.131","0.007","90.482","0.008","3784.9","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H11 Cl3 O4 -","- C68 H11 Cl3 O4 -","- C272 H44 Cl12 O16 -","4","2","","Paulus, E. F.; Bingel, C.","Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~67~H~10~O~4~.CHCl~3~","Acta Crystallographica Section C","1995","51","","143","146","","","","","","","","0.045","","","0.1101","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010418","11.844","0.002","24.508","0.004","11.021","0.003","90","","114.32","0.01","90","","2915.2","1.1","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N O7 S2 -","- C31 H29 N O7 S2 -","- C124 H116 N4 O28 S8 -","4","1","VJ1002","Seetharaman, J.; Rajan, S.S.","1-(Phenylsulfonyl)-2-[1-(phenylsulfonyl)-2-(3,4,5-trimethoxyphenyl)ethyl]indole","Acta Crystallographica Section C","1995","51","1","78","80","10.1107/S0108270194007912","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010420","5.123","0.001","8.955","0.001","10.147","0.001","80.93","0.01","75.36","0.01","89.17","0.01","444.61","0.11","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- H7 N O10.5 S2 Sc -","- H8 N O11 S2 Sc -","- H16 N2 O22 S4 Sc2 -","2","1","AB1121","Mirčeva, A.; Golič, L.","Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH~3~OH)(SO~4~)~2~.1.5H~2~O","Acta Crystallographica Section C","1995","51","2","175","177","10.1107/S0108270194003203","","","0.71069","MoKα","","","0.03","","","0.034","","","","","0.42","0.42","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010421","8.342","0.003","9.861","0.002","12.735","0.002","80.41","0.02","79.91","0.02","80.96","0.02","1008.1","0.5","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","AB1138","Liu, X.-L.; Wang, J.-L.; Liu, J.-W.; Miao, F.-M.","6'-Diethylamino-2'-nitrospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one","Acta Crystallographica Section C","1995","51","2","324","326","10.1107/S0108270194005949","","","0.71073","MoKα","","","0.035","","","0.034","","","","","0.721","0.721","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010423","9.325","0.001","11.474","0.002","17.418","0.003","90","","90","","90","","1863.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quitenine ethyl ester","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw","Quitenine Ethyl Ester","Acta Crystallographica Section C","1995","51","","282","285","","","","","","","","0.0335","","","0.0914","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010424","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica Section C","1995","51","","270","272","","","","","","","","0.073","","","0.23","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010425","5.782","0.001","15.148","0.002","12.064","0.002","90","","98.98","0.02","90","","1043.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C52 H36 F4 O8 -","4","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.046","","","0.063","","","","","3.38","3.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010426","16.966","0.002","5.783","0.001","22.038","0.001","90","","101.981","0.008","90","","2115.1","0.5","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C104 H72 F8 O16 -","8","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.064","","","0.072","","","","","2.8","2.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010427","5.689","0.001","14.734","0.001","12.385","0.001","90","","101.06","0.01","90","","1018.9","0.2","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.036","","","0.054","","","","","2.52","2.52","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010428","7.025","0.001","15.417","0.003","11.111","0.002","90","","102.38","0.01","90","","1175.4","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N5 O -","- C11 H15 N5 O -","- C44 H60 N20 O4 -","4","1","AS1114","Głowka, M.L.","3-(4-Pyridyl)-5,6,7,8-tetrahydro-9<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,3]diazepine Monohydrate","Acta Crystallographica Section C","1995","51","2","285","287","10.1107/S0108270194006414","","","0.71069","MoKα","","","0.0485","","","0.0594","","","","","0.63","0.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010429","9.559","0.002","12.464","0.002","10.478","0.002","90","","94.37","0.01","90","","1244.8","0.4","293","1","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 -","- C26 H46 -","- C52 H92 -","2","0.5","AS1115","Overby, J.S.; Hanusa, T.P.","2,4,7,9-Tetra-<i>tert</i>-butyl-1,3,7,9-decatetraene","Acta Crystallographica Section C","1995","51","2","313","315","10.1107/S0108270194006426","","","0.71069","MoKα","","","0.044","","","0.05","","","","","1.54","1.54","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010430","9.7196","0.0013","9.848","0.002","30.923","0.007","90","","90","","90","","2959.9","1","122","0.5","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O9 -","- C32 H35 N O9 -","- C128 H140 N4 O36 -","4","1","AS1116","Lopez de Diego, Heidi","(<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-Mandelate‒Mandelic Acid (1/2), C~8~H~12~N^+^.C~8~H~7~O~3~^{-^}.2C~8~H~8~O~3~","Acta Crystallographica Section C","1995","51","2","253","256","10.1107/S010827019400764X","","","1.5418","CuKα","","","0.044","","","0.1298","","","","","1.15","1.15","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010433","9.995","0.004","14.143","0.003","13.171","0.004","90","","91.96","0.03","90","","1860.8","1","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 N4 Ni O8 -","- C10 H26 Cl2 N4 Ni O8 -","- C40 H104 Cl8 N16 Ni4 O32 -","4","1","AS1127","Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","2","229","232","10.1107/S0108270194009492","","","0.71073","MoKα","","","0.062","","","0.083","","","","","1.57","1.57","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010434","9.605","0.002","15.309","0.006","13.01","0.002","90","","105.64","0.02","90","","1842.2","0.9","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 N4 Ni O8 -","- C10 H26 Cl2 N4 Ni O8 -","- C40 H104 Cl8 N16 Ni4 O32 -","4","1","AS1127","Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","2","229","232","10.1107/S0108270194009492","","","0.71073","MoKα","","","0.049","","","0.066","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010437","5.782","0.002","18.164","0.005","7.531","0.002","90","","90.07","0.02","90","","790.9","0.4","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 O5 S -","- C6 H6 O5 S -","- C24 H24 O20 S4 -","4","1","BK1034","Webb, T.R.; Ho, Z.-C.; Livant, P.","<i>cis</i>,<i>trans</i>-3,3'-Sulfinylbis(acrylic acid)","Acta Crystallographica Section C","1995","51","2","304","306","10.1107/S0108270194005457","","","0.71073","MoKα","","","0.0534","","","0.0649","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010438","17.985","0.007","15.9","0.007","15.042","0.005","90","","104.23","0.04","90","","4169","3","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Cl2 N4 O4 Zr -","- C49 H34 Cl4 N4 O4 Zr -","- C196 H136 Cl16 N16 O16 Zr4 -","4","0.5","BK1042","Huhmann, Jean L.; Corey, Joyce Y.; Rath, Nigam P.","(Tetraphenylporphyrinato)zirconium(IV) Diacetate","Acta Crystallographica Section C","1995","51","2","195","197","10.1107/S0108270194008553","","","0.71073","MoKα","","","0.0763","","","0.0822","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010440","24.443","0.009","9.102","0.002","15.356","0.005","90","","116.01","0.03","90","","3070.4","1.8","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cu N O2 P2 -","- C36 H30 Cu N O2 P2 -","- C144 H120 Cu4 N4 O8 P8 -","4","0.5","BK1045","Halfen, Jason A.; Tolman, William B.","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine)copper(I), (PPh~3~)~2~Cu(NO~2~-<i>O</i>,<i>O</i>')","Acta Crystallographica Section C","1995","51","2","215","217","10.1107/S0108270194008991","","","0.71073","MoKα","","","0.063","","","0.06","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010444","8.204","0.003","8.204","0.003","4.159","0.001","90","","90","","120","","242.42","0.14","291","2","291","2","","","","","","","","4","P 3 2 1","P 3 2""","150","strontium dibromide hexahydrate","","","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","1","0.166667","","Abrahams, Isaac; Vordemvenne, Elke","Strontium Dibromide Hexahydrate","Acta Crystallographica Section C","1995","51","","183","185","","","","","","","","0.0294","","","0.075","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010446","13.613","0.005","5.919","0.009","14.988","0.002","90","","114.563","0.01","90","","1098.4","1.7","300","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 S -","- C10 H10 N4 O2 S -","- C40 H40 N16 O8 S4 -","4","1","CR1071","Kokila, M. K.; Puttaraja, ?; Kulkarni, M. V.; Thampi, S.","4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide","Acta Crystallographica Section C","1995","51","2","333","336","10.1107/S0108270193014180","","","1.5418","CuKα","","","0.064","","","0.086","","","","","2.78","2.78","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2010447","7.428","0.001","9.652","0.001","11.102","0.002","73.29","0.02","70.89","0.02","70.49","0.02","694.6","0.2","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 N3 O4 S -","- C11 H17 N3 O4 S -","- C22 H34 N6 O8 S2 -","2","1","CR1072","Kokila, M.K.; Puttaraja; Kulkarni, M.V.; Thampi, S.","3,4,5-Trimethoxybenzaldehyde Thiosemicarbazone Monohydrate","Acta Crystallographica Section C","1995","51","2","330","333","10.1107/S0108270193014015","","","1.5418","CuKα","","","0.036","","","0.039","","","","","1.92","1.92","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010448","19.874","0.001","23.935","0.002","9.496","0.001","90","","90","","90","","4517.1","0.6","290","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H52 N2 O15 -","- C48 H52 N2 O15 -","- C192 H208 N8 O60 -","4","1","CR1123","Gao, Q.; Golik, J.","2'-Carbamate Taxol","Acta Crystallographica Section C","1995","51","2","295","298","10.1107/S0108270194005317","","","1.5418","CuKα","","","0.041","","","0.041","","","","","1.149","1.149","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010449","6.6219","0.0003","9.4738","0.0013","12.462","0.002","96.475","0.011","93.022","0.007","107.315","0.008","738.53","0.16","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O -","- C9 H7 F O -","- C36 H28 F4 O4 -","4","2","CR1124","Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.","5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone","Acta Crystallographica Section C","1995","51","2","301","304","10.1107/S0108270194005329","","","1.54184","CuKα","","","0.056","","","0.076","","","","","4.462","4.462","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010450","13.992","0.001","6.962","0.001","9.788","0.001","90","","90","","90","","953.47","0.18","296","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H11 F O -","- C11 H11 F O -","- C44 H44 F4 O4 -","4","0.5","CR1124","Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.","5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone","Acta Crystallographica Section C","1995","51","2","301","304","10.1107/S0108270194005329","","","1.54184","CuKα","","","0.044","","","0.055","","","","","2.152","2.152","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010453","7.148","0.003","7.586","0.003","8.888","0.004","109.74","0.03","76.7","0.05","107.37","0.05","428.4","0.3","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cu N10 O6 -","- C10 H22 Cu N10 O6 -","- C10 H22 Cu N10 O6 -","1","0.5","DU1088","Viossat, B.; Tomas, A.; Nguyen-Huy Dung","L'hydrogénocarbonate de Bis(<i>N</i>,<i>N</i>-diméthylbiguanide) Cuivre(II), [Cu(C~4~H~11~N~5~)~2~]2HCO~3~","Acta Crystallographica Section C","1995","51","2","213","215","10.1107/S0108270194006086","","","0.7107","MoKα","","","0.05","","","0.04","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010454","6.061","0.001","6.061","0.001","9.525","0.001","90","","90","","90","","349.9","0.1","294","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Al2.7 Fe Si2.3 -","- Al2.7 Fe Si2.3 -","- Al10.8 Fe4 Si9.2 -","4","0.125","","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","FeAl~3~Si~2~","Acta Crystallographica Section C","1995","51","","177","179","","","","","","","","0.014","","","0.02","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010455","6.061","0.001","6.061","0.001","9.525","0.001","90","","90","","90","","349.9","0.1","294","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Al2.7 Fe Si2.3 -","- Al3 Fe Si2 -","- Al12 Fe4 Si8 -","4","0.5","","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","FeAl~3~Si~2~","Acta Crystallographica Section C","1995","51","","177","179","","","","","","","","0.034","","","0.037","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010458","4.533","0.001","16.537","0.003","12.687","0.003","90","","97.22","0.03","90","","943.5","0.3","569","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9(10H)-ACRIDONE","","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","","Potts, Graham D.; Jones, W.","9(10H)-Acridone","Acta Crystallographica Section C","1995","51","","267","268","","","","","","","","0.0543","","","0.1759","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010461","13.8","0.006","7.406","0.001","16.114","0.003","90","","106.04","0.02","90","","1582.8","0.8","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C60 H64 N16 O8 S8 -","4","1","HR1001","Shin, Whanchul; Lim, Byung Chul","Thiamin Thiothiazolone Acetone Solvate, C~12~H~16~N~4~OS~2~.0.5C~3~H~6~O","Acta Crystallographica Section C","1995","51","2","315","318","10.1107/S0108270194003811","","","1.5418","CuKα","","","0.052","","","0.058","","","","","0.882","0.882","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010462","7.057","0.002","16.595","0.004","15.192","0.005","90","","100.01","0.02","90","","1752.1","0.9","294","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cd I4 N2 -","- C8 H14 Cd I4 N2 -","- C32 H56 Cd4 I16 N8 -","4","1","HR1003","Bailey, R.D.; Pennington, W.T.","Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)","Acta Crystallographica Section C","1995","51","2","226","229","10.1107/S0108270194005147","","","0.71073","MoKα","","","0.0559","","","0.075","","","","","2.14","2.14","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2010463","8.549","0.002","17.564","0.005","14.401","0.003","90","","105.35","0.02","90","","2085.2","0.9","294","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C8 H20 Cd I4 N2 O3 -","- C12 H30 Cd1.5 I6 N3 O4.5 -","- C48 H120 Cd6 I24 N12 O18 -","4","1","HR1003","Bailey, R.D.; Pennington, W.T.","Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)","Acta Crystallographica Section C","1995","51","2","226","229","10.1107/S0108270194005147","","","0.71073","MoKα","","","0.0677","","","0.09","","","","","2.5","2.5","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2010465","12.176","0.004","20.336","0.003","27.728","0.007","90","","90","","90","","6866","3","298","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H34 O3 P2 S W -","- C38 H34 O3 P2 S W -","- C304 H272 O24 P16 S8 W8 -","8","1","HR1013","Wang, H.-E.; Cheng, M.-C.; Peng, S.-M.; Liu, S.-T.","{2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-<i>P</i>,<i>P</i>',<i>S</i>}tricarbonyltungsten(0)","Acta Crystallographica Section C","1995","51","2","198","200","10.1107/S0108270194007882","","","0.7107","MoKα","","","0.024","","","0.017","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010466","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica Section C","1995","51","","234","235","","","","","","","","0.0207","","","0.0531","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010467","8.184","0.005","12.363","0.004","7.101","0.002","94.93","0.03","94","0.04","77.34","0.04","697.5","0.5","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl2 N6 O2 Zn -","- C8 H14 Cl2 N6 O2 Zn -","- C16 H28 Cl4 N12 O4 Zn2 -","2","1","HU1081","Okabe, N.; Kohyama, Y.; Ikeda, K.","A Zinc(II) Complex of Creatinine","Acta Crystallographica Section C","1995","51","2","222","224","10.1107/S0108270194010036","","","0.71069","MoKα","","","0.049","","","0.049","","","","","1.25","1.25","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010468","8.568","0.002","12.697","0.002","7.1759","0.0006","101.3","0.01","107.17","0.01","73.3","0.01","709.1","0.2","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cd Cl2 N6 O2 -","- C8 H14 Cd Cl2 N6 O2 -","- C16 H28 Cd2 Cl4 N12 O4 -","2","1","HU1089","Okabe, N.; Ikeda, K.; Kohyama, Y.; Sasaki, Y.","Dichlorobis(creatinine)cadmium(II)","Acta Crystallographica Section C","1995","51","2","224","226","10.1107/S0108270194010048","","","0.71069","MoKα","","","0.022","","","0.03","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010469","21.728","0.009","12.624","0.006","13.838","0.007","90","","113.8","0.04","90","","3473","3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Cl4 P2 Pd2 -","- C28 H44 Cl4 P2 Pd2 -","- C112 H176 Cl16 P8 Pd8 -","4","0.5","HU1114","Chaloner, P. A.; Dewa, S. Z.; Hitchcock, P. B.","<i>trans</i>-Di-μ-chloro-bis[chloro(tributylphosphine)palladium]","Acta Crystallographica Section C","1995","51","2","232","233","10.1107/S0108270194010255","","","0.71069","MoKα","","","0.035","","","0.046","","","","","1.4","1.4","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010470","11.118","0.002","6.167","0.003","12.296","0.002","90","","107.28","0.02","90","","805","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C8 H7 N O Se -","- C8 H7 N O Se -","- C32 H28 N4 O4 Se4 -","4","1","KA1040","Piatek, M.; Oleksyn, B.; Sliwinski, J.","2-Methyl-2<i>H</i>-1,2-benzisoselenazol-3-one","Acta Crystallographica Section C","1995","51","2","298","301","10.1107/S0108270193012983","","","1.5418","CuKα","","","0.033","","","0.047","","","","","1.204","1.204","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010471","8.161","0.001","8.222","0.001","23.113","0.002","93.46","0.02","96.88","0.02","113.43","0.02","1402.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","aurone","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju","4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone","Acta Crystallographica Section C","1995","51","","265","267","","","","","","","","0.0576","","","0.1494","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010472","9.609","0.005","5.648","0.003","10.491","0.005","90","","91.63","0.04","90","","569.1","0.5","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O4 Zn -","- C10 H14 N2 O4 Zn -","- C20 H28 N4 O8 Zn2 -","2","1","LI1042","Ng, C.-H.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.; Chinnakali, K.","Bis(<small>L</small>-prolinato-<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","1995","51","2","244","245","10.1107/S0108270194009340","","","0.71069","MoKα","","","0.0269","","","0.0362","","","","","0.96","0.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010473","6.281","0.004","7.613","0.005","27.78","0.02","90","","92.45","0.06","90","","1327.1","1.5","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","LI1058","Li, Z.; Su, G.","2-Methoxy-5-(4-nitrostyryl)phenol","Acta Crystallographica Section C","1995","51","2","311","313","10.1107/S0108270194008668","","","0.71069","MoKα","","","0.066","","","0.077","","","","","1.91","1.91","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010474","11.358","0.002","25.591","0.005","13.497","0.002","90","","90","","90","","3923.1","1.2","295","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C39 H50 N5 O10 -","- C39 H50 N5 O10 -","- C156 H200 N20 O40 -","4","1","LI1098","Pakhomova, S.; Ondrack, M.; Kratochvil, B.; Jegporov, A.; Stuchlik, J.","Ergotamine Tartrate Bis(ethanol) Solvate","Acta Crystallographica Section C","1995","51","2","308","311","10.1107/S0108270194004233","","","0.71073","MoKα","","","0.047","","","0.047","","","","","0.8386","0.8386","","","","","has coordinates","190659","2020-10-21","18:00:00",""
"2010475","8.693","0.003","26.794","0.007","12.534","0.005","90","","93.08","0.03","90","","2915.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N6 O -","- C17 H14 N6 O -","- C136 H112 N48 O8 -","8","2","LI1112","Palmer, R. A.; Janes, R. W.; Corper, A. L.; Lisgarten, J. N.; Hansen, H. C.","The Novel GABA~A~ Receptor Ligand NNC 14-0764: 5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydrodiimidazo[1,5-<i>a</i>:1',2'-<i>c</i>]quinazoline","Acta Crystallographica Section C","1995","51","2","318","322","10.1107/S0108270194004166","","","1.54178","CuKα","","0.0417","0.0365","","0.1053","0.1014","","","","3.951","1","1","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010478","9.958","0.003","9.961","0.004","12.978","0.006","90","0.03","90","0.03","90","0.03","1287.3","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine","(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one.","Acta Crystallographica Section C","1995","51","","280","282","","","","","","","","0.0502","","","0.1217","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010479","8.582","0.002","8.996","0.002","15.357","0.003","94.9","0.01","93.27","0.01","117.59","0.01","1040","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C48 H54 N6 O6 -","2","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section C","1995","51","","246","249","","","","","","","","0.038","","","0.05","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010480","15.518","0.002","16.427","0.002","8.46","0.001","90","","90","","90","","2157","2","293","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section C","1995","51","","246","249","","","","","","","","0.027","","","0.036","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010481","9.439","0.001","21.6","0.003","16.678","0.003","90","","94.71","0.01","90","","3388.9","0.9","293","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br4 Mo N2 P -","- C34 H30 Br4 Mo N2 P -","- C136 H120 Br16 Mo4 N8 P4 -","4","1","MU1097","Brenčič, Jurij V.; Modec, Barbara; Yao, Zhengui","Tetraphenylphosphonium <i>cis</i>-Tetrabromobis(pyridine)molybdate(III)","Acta Crystallographica Section C","1995","51","2","197","198","10.1107/S0108270194007535","","","0.71069","MoKα","","","0.0248","","","0.0348","","","","","0.82","0.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010482","20.378","0.009","9.914","0.005","17.272","0.008","90","","103","0.06","90","","3400","3","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl2 N4 O4 P Rh -","- C36 H34 Cl3 N4 O4 P Rh -","- C144 H136 Cl12 N16 O16 P4 Rh4 -","4","1","MU1107","Dunaj-Jurco, M.; Kettmann, V.; Steinborn, D.; Ludwig, M.","Bis(dimethylglyoximato)(phenylacetylido)(triphenylphosphine)rhodium(III) Dichloromethane, [Rh(C~4~H~7~N~2~O~2~)~2~(C~8~H~5~)(C~18~H~15~P)].CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","2","210","213","10.1107/S010827019400586X","","","0.71069","MoKα","","","0.045","","","0.056","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010483","16.74","0.01","13.57","0.004","19.65","0.02","90","","113.22","0.09","90","","4102","6","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B Co N4 O2 -","- C50 H44 B Co N4 O2 -","- C200 H176 B4 Co4 N16 O8 -","4","1","MU1116","Shi, Xiao-Hui; You, Xiao-Zeng; Li, Cun; Song, Bao-Lin; Li, Ting-Hao; Huang, Xiao-Ying","<i>trans</i>-[Co(salen)(py)~2~][BPh~4~]","Acta Crystallographica Section C","1995","51","2","206","207","10.1107/S0108270194009091","","","0.71069","MoKα","","","0.048","","","0.056","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010485","11.144","0.003","15.667","0.004","13.048","0.005","90","","96.32","0.03","90","","2264.2","1.2","140","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H24 Cl2 Ir6 O14 P2 -","- C40 Cl2 Ir6 O14 P2 -","- C80 Cl4 Ir12 O28 P4 -","2","0.5","","Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.","Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","","217","219","","","","","","","","0.0951","","","0.2013","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010486","12.162","0.001","10.647","0.001","7.985","0.001","90","","92.441","0.005","90","","1033.03","0.18","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C H13 B10 Cs -","- C H13 B10 Cs -","- C4 H52 B40 Cs4 -","4","1","NA1091","Whitaker, Claire R.; Romerosa, Antonio; Teixidor, Francesc; Rius, Jordi","Cs[CB~10~H~13~] at 293 K","Acta Crystallographica Section C","1995","51","2","188","190","10.1107/S0108270194008139","","","0.71073","MoKα","","","0.042","","","0.051","","","","","2.47","2.47","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010491","7.066","0.003","10.657","0.006","13.046","0.007","91.99","0.05","103.15","0.05","90.52","0.04","955.9","0.9","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 N5 S -","- C24 H13 N5 S -","- C48 H26 N10 S2 -","2","1","PA1062","Toupet, L.; Karl, N.","Non-Sinusoidal Structure of the 1:1 Complex of Phenothiazine and 7,7,8,8-Tetracyanoquinodimethane","Acta Crystallographica Section C","1995","51","2","249","251","10.1107/S0108270194008061","","","0.70926","MoKα","","","0.057","","","0.056","","","","","0.81","0.81","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010492","3.873","0.002","13.687","0.002","7.013","0.003","90","","92.94","0.06","90","","371.3","0.3","293","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","0.5","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.046","","","0.059","","","","","2.024","2.024","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2010493","7.842","0.002","14.45","0.005","7.548","0.002","101.08","0.02","98.1","0.02","84.38","0.03","828.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Cl3 N O2 -","- C6 H2 Cl3 N O2 -","- C24 H8 Cl12 N4 O8 -","4","2","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.06","","","0.08","","","","","3.086","3.086","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010494","10.92","0.003","10.944","0.002","8.74","0.001","103.17","0.01","112.68","0.02","78.25","0.02","930.6","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H Cl4 N O2 -","- C6 H Cl4 N O2 -","- C24 H4 Cl16 N4 O8 -","4","2","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.039","","","0.056","","","","","2.194","2.194","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010495","8.46","0.001","6.559","0.001","9.798","0.008","92.05","0.05","106.72","0.05","92.46","0.05","519.6","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Cl2 Na2 O7 -","- C6 H6 Cl2 Na2 O7 -","- C12 H12 Cl4 Na4 O14 -","2","1","PA1086","Benchekroun, R.; Savariault, J.-M.","Sodium Chloranilate Trihydrate","Acta Crystallographica Section C","1995","51","2","186","188","10.1107/S010827019400301X","","","0.71069","MoKα","","","0.028","","","0.027","","","","","2.23","2.23","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010496","24.179","0.002","11.203","0.001","17.286","0.002","90","","125.62","0.01","90","","3806.3","0.8","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C152 H216 N8 O32 -","8","1","PA1101","Nurit, J.; Rambaud, J.; Pauvert, B.; Doumbia, O.; Térol, A.; Chevallet, P.; Declercq, J.-P.","Polymorph (II) of Methyl 3-(4-Ethoxy-α-hydroxyiminobenzyl)-1,2,2-trimethyl-cyclopentanecarboxylate","Acta Crystallographica Section C","1995","51","2","322","324","10.1107/S0108270194006013","","","1.54178","CuKα","","","0.058","","","0.088","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010499","9.109","0.003","16.546","0.005","15.703","0.005","90","","93.38","0.02","90","","2362.6","1.3","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N4 O9 -","- C21 H32 N4 O9 -","- C84 H128 N16 O36 -","4","1","SH1070","Kasemann, O.; Stanetty, P.; Mereiter, K.","Decahydro-6,6-dimethoxy-1,2,2,4-tetramethylquinolinium Picrate","Acta Crystallographica Section C","1995","51","2","306","308","10.1107/S0108270194006992","","","0.71069","MoKα","","","0.06","","","0.057","","","","","1.93","1.93","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2019336","23.462","0.005","10.6","0.002","23.907","0.006","90","","102.08","0.02","90","","5814","2","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 F12 O4 -","- C10 H6 F12 O4 -","- C160 H96 F192 O64 -","16","2","","George, C.; Purdy, A.","1,3,5,7-Tetrakis(trifluoromethyl)-2,6-dioxabicyclo[3.3.0]octane-3,7-diol","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","445","","10.1107/S0108270194007511","","","0.71073","MoKα","","","0.058","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019337","12.397","0.005","8.277","0.004","15.169","0.006","90","","109.8","0.3","90","","1464","3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 N2 O5 -","- C14 H9 F3 N2 O5 -","- C56 H36 F12 N8 O20 -","4","1","","McKinney, J. D.; Agarwal, S. C.; Padgett, W. T.; Lambert, G. R.; Singh, P.; Nesnow, S.","3,5-Dinitro-4-(4-trifluoromethylphenoxy)toluene, Conformationally Related to Thyroid Hormones","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","428","","10.1107/S0108270194005305","","","0.71073","MoKα","","","0.054","","","0.069","","","","","2","2","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019338","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C Crystal Structure Communications","1995","51","6","1223","","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2019343","8.903","0.002","9.594","0.002","14.175","0.003","79.15","0.02","84.86","0.01","76.05","0.03","1152.8","0.5","302","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Mn N4 O5 -","- C20 H18 Cl2 Mn N4 O9 -","- C40 H36 Cl4 Mn2 N8 O18 -","2","1","","Chen, X. M.; Shi, K. L.; Mak, T. C. W.; Luo, B. S.","Aquabis(2,2'-bipyridine)chloromanganese(II) Perchlorate","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","358","","10.1107/S0108270194005226","","","0.71073","MoKα","","","0.0486","","","0.0688","","","","","1.18","1.18","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019344","9.217","0.003","13.589","0.004","11.237","0.003","90","","92.47","0.02","90","","1406.1","0.7","173","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O11 P S -","- C23 H35 N4 O11 P S -","- C46 H70 N8 O22 P2 S2 -","2","1","","Szabó, T.; Stawinski, J.; Carlson, S.; Norrestam, R.","The SP Diastereomer of a Dinucleoside Methylphosphonate Methanol Solvate Containing Thymine and N3-Methyl-4-thiothymine Bases","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","411","","10.1107/S0108270194006281","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.76","1.76","","","","","has coordinates,has disorder","190974","2020-10-21","18:00:00",""
"2019345","8.641","0.001","7.236","0.001","7.337","0.001","107","0.1","84.4","0.1","96.8","0.1","434.7","0.3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 Br2 N4 S2 Sn -","- C10 H18 Br2 N4 S2 Sn -","- C10 H18 Br2 N4 S2 Sn -","1","0.5","","Casas, J. S.; Sanchez Gonzalez, A.; Sordo, J.; Garcia Barros, F. J.; Valle, G.","Dibromodiethylbis(3H-imidazole-2-thione-S)tin(IV)","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","633","","10.1107/S0108270194004427","","","0.7107","MoKα","","","0.039","","","0.038","","","","","0.584","0.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019346","7.636","0.001","8.911","0.001","34.895","0.003","90","","90","","90","","2374.4","0.5","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C22 H39 N O6 S -","- C22 H39 N O6 S -","- C88 H156 N4 O24 S4 -","4","1","","Tinant, B.; Declercq, J. P.; Huart, C.","Absolute Configuration of N,N-{(1S)-1-[(1-Methoxy-1-methyl)ethyl]tetramethylene}(1R,6R,7R)-9,9-diethoxy-1-methyl-2-oxo-bicyclo[4.3.0]nonane-7-sulfonamide","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","678","","10.1107/S0108270194001678","","","1.54178","CuKα","","","0.058","","","0.067","","","","","0.59","0.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019347","17.67","0.005","16.554","0.006","14.753","0.003","90","","126.29","0.02","90","","3478","2","293","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O8 Rh2 S2 -","- C34 H32 N4 O8 Rh2 S2 -","- C136 H128 N16 O32 Rh8 S8 -","4","0.5","","Lemoine, P.; Tomas, A.; Viossat, B.; Mettey, Y.; Vierfond, J. M.","Complexe entre un Carboxylate de Rhodium(II) et un Dérivé de la [1,4]Thiazépine: Synthèse et Structure Cristalline de Tétrakis(μ-acétato)bis{[11-aminodibenzo[b,f][1,4]thiazépine]rhodium(II)}(Rh—Rh)","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","377","","10.1107/S0108270194006773","","","0.7107","MoKα","","","0.0476","","","0.0476","","","","","5.7","5.7","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019350","12.973","0.002","12.572","0.002","18.993","0.002","90","","107.98","0.01","90","","2946.4","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 N6 O2 Se4 Tl2 -","- C52 H72 N6 O4 Se4 Tl2 -","- C104 H144 N12 O8 Se8 Tl4 -","2","0.5","","Zahn, G.; Franke, A.; Dietzsch, W.","Bis(tetra-n-butylammonium) Bis(μ-1,1-dicyanoethene-2,2-diselenolato)dithallate(I) Acetone Solvate, [(C4H9)4N]2[Tl2{Se2C=C(CN)2}2].2(CH3)2CO","Acta Crystallographica Section C Crystal Structure Communications","1995","51","5","854","","10.1107/S0108270194003562","","","0.71073","MoKα","","","0.0504","","","0.0474","","","","","1.52","1.52","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019351","7.906","0.009","12.076","0.008","12.35","0.01","92.88","0.05","100.55","0.08","90.78","0.08","1157.4","1.8","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H17 Cl4 N7 O P4 S -","- C10 H17 Cl4 N7 O P4 S -","- C20 H34 Cl8 N14 O2 P8 S2 -","2","1","","Diefenbach, U.; Stromburg, B.; Engelhardt, U.","Ein anorganischer Spirocyclus aus Cyclotriphosphazen und Phosphor(V)-Hydrazin-Heterocyclus mit Twist-Konformation","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","670","","10.1107/S0108270194001447","","","0.71069","MoKα","","","0.069","","","0.061","","","","","2.57","2.57","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2019363","6.937","0.002","15.32","0.002","23.423","0.003","90","","90","","90","","2489.3","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O7 -","- C27 H27 N O7 -","- C108 H108 N4 O28 -","4","1","","Swamy, G. Y. S. K.; Ravikumar, K.; Rama Rao, A. V.; Gurjar, M. K.; Ramadevi, T.","An Oxazolidinone Derivative of D-Furanose","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","426","","10.1107/S0108270194003732","","","0.71063","MoKα","","","0.049","","","0.056","","","","","0.923","0.923","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019364","12.294","0.003","12.294","0.003","15.945","0.003","90","","90","","120","","2087.1","0.8","293","","","","","","","","","","","4","P 31","P 31","144","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C108 H90 N6 O12 -","6","2","","Seetharaman, J.; Rajan, S. S.","7,10-Dimethoxybenzo[b]carbazole","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","676","","10.1107/S0108270194005135","","","1.5418","CuKα","","","0.043","","","0.046","","","","","0.97","0.97","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2019365","8.876","0.003","9.55","0.001","10.465","0.003","97.25","0.02","107.37","0.03","100.24","0.02","817.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N4 O3 -","- C16 H18 Cl N4 O3 -","- C32 H36 Cl2 N8 O6 -","2","1","","Datta, M.; Hannan, S. S.; Talukdar, A. N.","6-Chloro-1-ethyl-1,4-dihydro-4-oxo-7-(4-methyl-1-piperazinyl)-1,8-naphthyridine-3-carboxylic Acid, C16H19ClN4O3","Acta Crystallographica Section C Crystal Structure Communications","1995","51","5","978","","10.1107/S0108270194004920","","","1.54178","CuKα","","","0.083","","","0.089","","","","","0.293","0.293","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020048","14.883","","12.447","","12.56","","90","","90","","90","","2326.72","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn2.99 Al9.677","","- Al9.677 Mn2.99 -","- Al9.67667 Mn2.99 -","- Al116.12 Mn35.88 -","12","1.5","","Pavlyuk, V.V.; Gladyshevskii, R.E.; Yanson, T.I.; Bodak, O.; Cerny, R.; Yvon K.; Stepen'-Damm, Yu.","Structure refinement of orthorhombic Mn Al3","Acta Crystallographica C (39,1983-)","1995","51","","792","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","151480","2020-10-21","18:00:00",""
"9011381","9.5394","","8.5756","","5.2508","","90","","110.124","","90","","403.324","","","","273","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","1","","Sato, A.; Osawa, T.; Ohashi, H.","Low-temperature form of LiGaSi2O6 Sample: T = 273 K Note: anisoU's from ICSD","Acta Crystallographica, Section C","1995","51","","1959","1960","10.1107/S0108270195004732","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""