# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:33:09+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 = 64 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
"2016368","10.0095","0.0018","13.293","0.002","14.052","0.003","93.573","0.003","99.225","0.003","110.134","0.002","1718.8","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[acetatohexaaqua(μ~4~-2,6-bis[bis(carboxylatomethyl)aminomethyl]- 4-methylphenolato)trizinc(II)] octahydrate]","","- C19 H48 N2 O25 Zn3 -","- C19 H48 N2 O25 Zn3 -","- C38 H96 N4 O50 Zn6 -","2","1","AV3103","Zhang, Yuan-Yuan; Huo, Fang-Jun; Gao, Fei","A novel O‒Zn bridging polymer complex of 2,6-bis[bis(carboxylatomethyl)aminomethyl]-4-methylphenolate","Acta Crystallographica Section C","2008","64","1","m67","m69","10.1107/S0108270107047282","","","0.71073","MoKα","","0.0855","0.0685","","","0.1246","0.1306","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016369","5.9983","0.0002","9.5439","0.0004","12.7293","0.0005","111.33","0.001","92.188","0.001","97.965","0.001","669.15","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","rac-<i>trans</i>-(1<i>R</i>,2<i>R</i>)-1-Benzyl-2-phenylcyclopropanecarboxylic acid","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","AV3113","Henryk Krawczyk; Katarzyna Wąsek; Jacek Kędzia; Jakub Wojciechowski; Wojciech M. Wolf","<i>trans</i>-(1<i>R</i>,2<i>R</i>)-1-Benzyl-2-phenylcyclopropanecarboxylic acid","Acta Crystallographica Section C","2008","64","1","o24","o26","10.1107/S0108270107050883","","","0.71073","MoKα","","0.0444","0.043","","","0.1112","0.1124","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016370","14.677","0.002","9.2626","0.0015","16.99","0.003","90","","109.717","0.002","90","","2174.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[di-μ~3~-acetato-di-μ~2~-acetato-di-μ~3~-hydroxy-octa-μ~3~- triazolato-heptamanganese(II)]","","- C24 H30 Mn7 N24 O10 -","- C24 H30 Mn7 N24 O10 -","- C48 H60 Mn14 N48 O20 -","2","0.5","AV3119","Weng, Zhe-Hui; Chen, Zi-Lu; Liang, Fu-Pei","A novel three-dimensional coordination polymer: poly[di-μ~3~-acetato-di-μ~2~-acetato-di-μ~3~-hydroxido-octa-μ~3~-triazolato-heptamanganese(II)]","Acta Crystallographica Section C","2008","64","1","m64","m66","10.1107/S0108270107056259","","","0.71073","MoKα","","0.0625","0.038","","","0.0917","0.1128","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016371","40.152","0.009","8.353","0.003","18.842","0.005","90","","113.138","0.009","90","","5811","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[bis[μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]tris[μ~2~-1,3-bis(imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)]","","- C60 H48 Co3 N12 O12 -","- C60 H48 Co3 N12 O12 -","- C240 H192 Co12 N48 O48 -","4","1","BG3062","Ying-Ying Liu; Jin Yang; Ji-Cheng Ma; Jian-Fang Ma","Poly[bis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] and poly[[diaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] monohydrate]","Acta Crystallographica Section C","2008","64","1","m33","m36","10.1107/S0108270107059124","","","0.71069","MoKα","","0.0443","0.0373","","","0.0877","0.0911","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016372","14.16","0.004","10.105","0.003","20.927","0.004","90","","99.73","0.006","90","","2951.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[diaquabis[μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]tris[μ~2~-1,4-bis(imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] monohydrate]","","- C60 H54 Co3 N12 O15 -","- C60 H48 Co3 N12 O15 -","- C120 H96 Co6 N24 O30 -","2","0.5","BG3062","Ying-Ying Liu; Jin Yang; Ji-Cheng Ma; Jian-Fang Ma","Poly[bis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] and poly[[diaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] monohydrate]","Acta Crystallographica Section C","2008","64","1","m33","m36","10.1107/S0108270107059124","","","0.71069","MoKα","","0.1547","0.0743","","","0.1381","0.1654","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016373","18.6701","0.0004","6.652","0.001","16.06","0.002","90","","123.126","0.008","90","","1670.4","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(2S,3S)-2-(N,N-dibenzylamino)butane-1,3-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","DN3056","Ejsmont, Krzysztof; Joly, Jean-Pierre; Wenger, Emmanuel; Jelsch, Christian","(2<i>S</i>,3<i>S</i>)-2-(<i>N</i>,<i>N</i>-Dibenzylamino)butane-1,3-diol refined using a multipolar atom model","Acta Crystallographica Section C","2008","64","1","o18","o20","10.1107/S0108270107043296","","","0.71073","MoKα","","0.0375","0.0368","","","0.0908","0.0913","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016374","10.5525","0.0018","11.4674","0.0017","13.412","0.002","90","","91.77","0.05","90","","1622.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(μ-dimethylphenylsilanolato-κ^2^O:O)bis[bromido(diethyl ether)magnesium(II)]","","- C24 H42 Br2 Mg2 O4 Si2 -","- C24 H42 Br2 Mg2 O4 Si2 -","- C48 H84 Br4 Mg4 O8 Si4 -","2","0.5","DN3070","Lennartson, Anders; Håkansson, Mikael","Degradation of silicone grease by Grignard reagents: bis(μ-dimethylphenylsilanolato-κ^2^<i>O</i>:<i>O</i>)bis[bromido(diethyl ether)magnesium(II)]","Acta Crystallographica Section C","2008","64","1","m8","m9","10.1107/S0108270107057903","","","0.71073","MoKα","","0.0271","0.0237","","","0.0598","0.0606","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016375","20.5023","0.0017","7.6894","0.0006","22.847","0.0019","90","","104.904","0.002","90","","3480.7","0.5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Almotriptan","<i>N</i>,<i>N</i>-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1<i>H</i>- indol-3-yl]-ethanamine","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C136 H200 N24 O16 S8 -","8","1","DN3071","K. Ravikumar; B. Sridhar; Harihara Krishnan; A. N. Singh","Almotriptan, an antimigraine agent, and its malate salt","Acta Crystallographica Section C","2008","64","1","o15","o17","10.1107/S0108270107060507","","","0.71073","MoKα","","0.1068","0.0779","","","0.1496","0.1622","","","","","","1.174","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016376","7.5542","0.0007","9.3561","0.0009","17.3608","0.0017","104.081","0.002","101.121","0.002","92.681","0.002","1162.13","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Almotriptan Malate","<i>N</i>,<i>N</i>-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1<i>H</i>- indol-3-yl]-ethanaminium malate","","- C21 H31 N3 O7 S -","- C21 H31 N3 O7 S -","- C42 H62 N6 O14 S2 -","2","1","DN3071","K. Ravikumar; B. Sridhar; Harihara Krishnan; A. N. Singh","Almotriptan, an antimigraine agent, and its malate salt","Acta Crystallographica Section C","2008","64","1","o15","o17","10.1107/S0108270107060507","","","0.71073","MoKα","","0.0511","0.0485","","","0.1306","0.1332","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016377","12.177","0.002","13.842","0.003","7.1502","0.0014","90","","91.17","0.03","90","","1204.9","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]","","- C6 H10 Ba Ni O11 -","- C6 H10 Ba Ni O11 -","- C24 H40 Ba4 Ni4 O44 -","4","1","FA3125","Guo, Ming-Lin; Zhang, Hou-Ying","Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]","Acta Crystallographica Section C","2008","64","1","m30","m32","10.1107/S0108270107060763","","","0.71073","MoKα","","0.0418","0.0417","","","0.0988","0.0989","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016378","9.1183","0.0018","7.1051","0.0014","22.954","0.004","90","","95.08","0.01","90","","1481.3","0.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(dihydronium) naphthalene-1,5-disulfonate","","- C10 H16 O10 S2 -","- C10 H16 O10 S2 -","- C40 H64 O40 S8 -","4","0.5","GD3169","Genivaldo Júlio Perpétuo; Jan Janczak","Bis(dihydronium) naphthalene-1,5-disulfonate","Acta Crystallographica Section C","2008","64","1","o21","o23","10.1107/S0108270107063342","","","0.71073","MoKα","","0.0356","0.0299","","","0.0743","0.0773","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016379","31.0347","0.0006","15.9441","0.0011","18.3824","0.0007","90","","90","","90","","9096","0.7","110","2","110","2","","","","","","","","5","C m c a","-C 2ac 2","64","","[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) methanol solvate","","- C49 H32 N4 O9 Pd -","- C49 H32 N4 O9 Pd -","- C392 H256 N32 O72 Pd8 -","8","","GD3172","Sophia Lipstman; Israel Goldberg","Supramolecular hydrogen bonding of [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) in the presence of competing solvents","Acta Crystallographica Section C","2008","64","1","m53","m57","10.1107/S0108270107063524","","","0.71073","MoKα","","0.1191","0.0699","","","0.1449","0.1604","","","","","","0.999","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016380","7.7243","0.0002","13.2668","0.0004","14.5878","0.0005","81.382","0.0016","87.3282","0.0017","87.0384","0.0017","1474.91","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II)‒ <i>N</i>,<i>N</i>'-dimethylformamide‒water (1/4/4)","","- C60 H64 N8 O16 Pd -","- C60 H64 N8 O16 Pd -","- C60 H64 N8 O16 Pd -","1","0.5","GD3172","Sophia Lipstman; Israel Goldberg","Supramolecular hydrogen bonding of [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) in the presence of competing solvents","Acta Crystallographica Section C","2008","64","1","m53","m57","10.1107/S0108270107063524","","","0.71073","MoKα","","0.0456","0.037","","","0.0787","0.0825","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016381","8.5115","0.0013","12.8018","0.0018","14.128","0.002","90","","99.814","0.005","90","","1516.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 O4 Zn2 -","- C32 H40 O4 Zn2 -","- C64 H80 O8 Zn4 -","2","0.5","GG3123","Lennartson, Anders; Håkansson, Mikael","Slow atmospheric oxidation of diphenylzinc: di-μ-phenoxido-bis[(diethyl ether)phenylzinc(II)]","Acta Crystallographica Section C","2008","64","1","m10","m12","10.1107/S0108270107057514","","","0.71073","MoKα","","0.0339","0.0311","","","0.0791","0.0804","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016382","4.8076","0.0003","11.6397","0.0005","15.501","0.0007","92.164","0.004","96.217","0.005","100.087","0.004","847.56","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-ethylsulfanyl-7-(4-methylphenyl)-4-phenylpyrazolo[1,5-a][1,3,5]triazine","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","GG3133","Insuasty, Henry; Mier, Paola; Suarez, Gina; Low, John N.; Cobo, Justo; Glidewell, Christopher","Three 4,7-diaryl-2-ethylsulfanylpyrazolo[1,5-<i>a</i>][1,3,5]triazines","Acta Crystallographica Section C","2008","64","1","o27","o30","10.1107/S0108270107064074","","","0.71073","MoKα","","0.0702","0.0421","","","0.0909","0.1059","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016383","11.829","0.001","7.5703","0.0005","19.5297","0.0005","90","","107.2","0.003","90","","1670.65","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-(4-chlorophenyl)-2-ethylsulfanyl-4-phenylpyrazolo[1,5-a][1,3,5]triazine","","- C19 H15 Cl N4 S -","- C19 H15 Cl N4 S -","- C76 H60 Cl4 N16 S4 -","4","1","GG3133","Insuasty, Henry; Mier, Paola; Suarez, Gina; Low, John N.; Cobo, Justo; Glidewell, Christopher","Three 4,7-diaryl-2-ethylsulfanylpyrazolo[1,5-<i>a</i>][1,3,5]triazines","Acta Crystallographica Section C","2008","64","1","o27","o30","10.1107/S0108270107064074","","","0.71073","MoKα","","0.0565","0.036","","","0.0798","0.092","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016384","7.7117","0.0004","8.3261","0.001","27.678","0.003","90","","94.978","0.005","90","","1770.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,7-bis(4-chlorophenyl)-2-(ethylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine","","- C19 H14 Cl2 N4 S -","- C19 H14 Cl2 N4 S -","- C76 H56 Cl8 N16 S4 -","4","1","GG3133","Insuasty, Henry; Mier, Paola; Suarez, Gina; Low, John N.; Cobo, Justo; Glidewell, Christopher","Three 4,7-diaryl-2-ethylsulfanylpyrazolo[1,5-<i>a</i>][1,3,5]triazines","Acta Crystallographica Section C","2008","64","1","o27","o30","10.1107/S0108270107064074","","","0.71073","MoKα","","0.1125","0.0545","","","0.1218","0.1554","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016385","11.3414","0.0007","32.9899","0.0019","16.1","0.001","90","","134.162","0.003","90","","4321.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trichlorido(μ~3~-triethylphosphine oxide-κ^3^O:O:O)tris(μ~2~-triethylphosphine oxide-κ^2^O:O)trilithium(I) toluene solvate","","- C31 H68 Cl3 Li3 O4 P4 -","- C31 H68 Cl3 Li3 O4 P4 -","- C124 H272 Cl12 Li12 O16 P16 -","4","1","GZ3103","Wioleta Domanska-Babul; Katarzyna Baranowska; Jerzy Pikies","Two pseudopolymorphs of LiCl trimers with semicubane structures","Acta Crystallographica Section C","2008","64","1","m20","m22","10.1107/S0108270107058763","","","0.71073","MoKα","","0.0932","0.06","","","0.1177","0.1272","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016386","12.0507","0.0004","12.1447","0.0003","25.8698","0.0007","90","","94.564","0.002","90","","3774.1","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trichlorido(μ~3~-triethylphosphine oxide-κ^3^O:O:O)tris(μ~2~-triethylphosphine oxide-κ^2^O:O)trilithium(I)","","- C24 H60 Cl3 Li3 O4 P4 -","- C24 H60 Cl3 Li3 O4 P4 -","- C96 H240 Cl12 Li12 O16 P16 -","4","1","GZ3103","Wioleta Domanska-Babul; Katarzyna Baranowska; Jerzy Pikies","Two pseudopolymorphs of LiCl trimers with semicubane structures","Acta Crystallographica Section C","2008","64","1","m20","m22","10.1107/S0108270107058763","","","0.71073","MoKα","","0.0372","0.0336","","","0.0889","0.0922","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016387","7.75","0.002","28.588","0.007","7.519","0.001","90","","106.63","0.012","90","","1596.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(2-chlorophenyl)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","GZ3109","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Tariq, Muhammad Ilyas; Siddiqui, Hamid Latif; Parvez, Masood","<i>N</i>-(<i>X</i>-Chlorophenyl)-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","1","o4","o6","10.1107/S0108270107059173","","","0.71073","MoKα","","0.0453","0.0343","","","0.083","0.0896","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016388","7.97","0.005","10.945","0.006","11.133","0.007","60.61","0.03","69.81","0.03","86.32","0.02","787.6","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N-(2-chlorophenyl)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C32 H26 Cl2 N4 O8 S2 -","2","1","GZ3109","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Tariq, Muhammad Ilyas; Siddiqui, Hamid Latif; Parvez, Masood","<i>N</i>-(<i>X</i>-Chlorophenyl)-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","1","o4","o6","10.1107/S0108270107059173","","","0.71073","MoKα","","0.107","0.0498","","","0.1036","0.1272","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016389","6.0869","0.0009","6.5376","0.0009","9.4896","0.0015","79.302","0.008","83.344","0.009","76.137","0.008","359.24","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(5-aminotetrazole-1-acetato-κO)cobalt(II)","","- C6 H16 Co N10 O8 -","- C6 H16 Co N10 O8 -","- C6 H16 Co N10 O8 -","1","0.5","GZ3110","Li, Qiao-Yun; Yang, Gao-Wen; Yuan, Rong-Xin; Wang, Jia-Ping; Cui, Peng-Fei","Bis(5-aminotetrazole-1-acetato-κ<i>O</i>)tetraaquacobalt(II) and <i>catena</i>-poly[[cadmium(II)]-bis(μ-5-aminotetrazole-1-acetato-κ^3^<i>N</i>^4^:<i>O</i>,<i>O</i>')]","Acta Crystallographica Section C","2008","64","1","m26","m29","10.1107/S0108270107051098","","","0.7107","MoKα","","0.0268","0.0259","","","0.0695","0.0704","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016390","13.52","0.004","10.625","0.003","8.877","0.003","90","","105.808","0.005","90","","1227","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[cadmium(II)]bis(μ-5-aminotetrazole-1-acetato-κ^3^N^4^:O,O')]","","- C6 H8 Cd N10 O4 -","- C6 H8 Cd N10 O4 -","- C24 H32 Cd4 N40 O16 -","4","0.5","GZ3110","Li, Qiao-Yun; Yang, Gao-Wen; Yuan, Rong-Xin; Wang, Jia-Ping; Cui, Peng-Fei","Bis(5-aminotetrazole-1-acetato-κ<i>O</i>)tetraaquacobalt(II) and <i>catena</i>-poly[[cadmium(II)]-bis(μ-5-aminotetrazole-1-acetato-κ^3^<i>N</i>^4^:<i>O</i>,<i>O</i>')]","Acta Crystallographica Section C","2008","64","1","m26","m29","10.1107/S0108270107051098","","","0.7107","MoKα","","0.0162","0.0159","","","0.0433","0.0435","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016391","7.109","0.0004","10.2326","0.0005","11.1591","0.0007","93.2852","0.0019","102.938","0.0018","90.964","0.0018","789.48","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","dipyrido[f,h]quinoxaline-6,7-dicarbonitrile ethanol solvate","","- C18 H12 N6 O -","- C18 H12 N6 O -","- C36 H24 N12 O2 -","2","1","HJ3061","Leonid Kozlov; Janice M. Rubin-Preminger; Israel Goldberg","Remarkable π‒π stacking of dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile in its ethanol solvate","Acta Crystallographica Section C","2008","64","1","o1","o3","10.1107/S0108270107058064","","","0.71073","MoKα","","0.1026","0.0582","","","0.1315","0.155","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016392","6.7592","0.0002","7.1773","0.0002","7.2398","0.0002","90.806","0.003","110.315","0.003","105.385","0.0015","315.376","0.017","173","","173","","","","","","","","","4","P -1","-P 1","2","","lithium iron dimolybdate","","- Fe Li Mo2 O8 -","- Fe Li Mo2 O8 -","- Fe2 Li2 Mo4 O16 -","2","1","IZ3035","A. van der Lee; M. Beaurain; P. Armand","LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~","Acta Crystallographica Section C","2008","64","1","i1","i4","10.1107/S0108270107061975","","","0.7107","MoKα","","0.0142","0.0136","","0.0347","0.0345","0.0347","","","","","","1.1979","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016393","6.7232","0.0003","7.0982","0.0003","7.258","0.0004","90.915","0.004","110.648","0.004","105.253","0.004","310.43","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","","lithium gallium dimolybdate","","- Ga Li Mo2 O8 -","- Ga Li Mo2 O8 -","- Ga2 Li2 Mo4 O16 -","2","1","IZ3035","A. van der Lee; M. Beaurain; P. Armand","LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~","Acta Crystallographica Section C","2008","64","1","i1","i4","10.1107/S0108270107061975","","","0.7107","MoKα","","0.043","0.0419","","0.1158","0.1149","0.1158","","","","","","0.8242","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016394","5.04022","0.00013","10.4054","0.0003","17.4541","0.0005","90","","90","","90","","915.39","0.04","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","trilithium gallium trimolybdate","","- Ga Li3 Mo3 O12 -","- Ga1.0028 Li2.9972 Mo3 O12 -","- Ga4.0112 Li11.9888 Mo12 O48 -","4","0.5","IZ3035","A. van der Lee; M. Beaurain; P. Armand","LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~","Acta Crystallographica Section C","2008","64","1","i1","i4","10.1107/S0108270107061975","","","0.71073","MoKα","","0.0369","0.0312","","0.085","0.0836","0.085","","","","","","1.1353","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016395","8.6711","0.00015","17.0109","0.0003","8.38857","0.00016","90","","90","","90","","1237.34","0.04","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","tripotassium digallium triphosphate","","- Ga2 K3 O12 P3 -","- Ga2 K3 O12 P3 -","- Ga8 K12 O48 P12 -","4","1","IZ3036","M. Beaurain; R. Astier; A. van der Lee; P. Armand","K~3~Ga~2~(PO~4~)~3~ and Na~3~Ga(PO~4~)~2~","Acta Crystallographica Section C","2008","64","1","i5","i8","10.1107/S0108270107061963","","","0.71073","MoKα","","0.0448","0.0344","","0.0877","0.0863","0.0877","","","","","","0.9789","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016396","8.8595","0.0003","8.8773","0.0003","9.1972","0.0003","88.97","0.003","70.982","0.003","87.949","0.003","683.41","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","","trisodium gallium biphosphate","","- Ga Na3 O8 P2 -","- Ga Na3 O8 P2 -","- Ga4 Na12 O32 P8 -","4","2","IZ3036","M. Beaurain; R. Astier; A. van der Lee; P. Armand","K~3~Ga~2~(PO~4~)~3~ and Na~3~Ga(PO~4~)~2~","Acta Crystallographica Section C","2008","64","1","i5","i8","10.1107/S0108270107061963","","","0.71073","MoKα","","0.0617","0.0425","","0.1379","0.1295","0.1379","","","","","","0.9991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016397","8.8872","0.0006","9.3897","0.0006","10.1875","0.0007","66.389","0.004","67.135","0.004","76.842","0.005","715.14","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-<i>N</i>-(2-Iodo-4,6-dimethylphenyl)-2-methylbut-2-enamide","","- C14 H18 I N O -","- C13.9794 H17.9382 I1.015 N O -","- C27.9588 H35.8764 I2.03 N2 O2 -","2","1","LN3060","Hughes, David L.; McDermott, Michael C.; Stephenson, G. Richard; Walkington, Andrew J.","(2<i>E</i>)-<i>N</i>-(2-Iodo-4,6-dimethylphenyl)-2-methylbut-2-enamide","Acta Crystallographica Section C","2008","64","1","o7","o9","10.1107/S0108270107056016","","","0.71073","MoKα","","0.0484","0.0328","","","0.078","0.0856","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016398","11.681","0.002","12.437","0.002","12.709","0.002","107.317","0.002","106.34","0.002","91.838","0.002","1677.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-1-(1,10-phenanthrolin-2-yl)-2-pyridone]bis{aqua[1-(1,10-phenanthrolin-2- yl)-2-pyridone]cadmium(II)} tetrakis(perchlorate)","","- C68 H48 Cd2 Cl4 N12 O22 -","- C68 H48 Cd2 Cl4 N12 O22 -","- C68 H48 Cd2 Cl4 N12 O22 -","1","0.5","LN3071","Liu, Qi Sheng; Liu, Lian Dong; Shi, Jing Min","Bis[μ-1-(1,10-phenanthrolin-2-yl)-2-pyridone]bis{aqua[1-(1,10-phenanthrolin-2-yl)-2-pyridone]cadmium(II)} tetrakis(perchlorate)","Acta Crystallographica Section C","2008","64","1","m58","m60","10.1107/S0108270107063718","","","0.71073","MoKα","","0.0573","0.041","","","0.0964","0.1027","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016399","6.4056","0.0008","8.222","0.0006","9.0916","0.0012","90.946","0.008","96.487","0.006","110.425","0.008","445.04","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","poly[μ~2~-hydroxido-κ^2^O:O-μ~2~-2-pyridylacetato-κ^3^O,N:O'-\ dioxidouranium(VI)]","","- C7 H7 N O5 U -","- C7 H7 N O5 U -","- C14 H14 N2 O10 U2 -","2","1","LN3075","Thuéry, Pierre","One-dimensional uranium‒organic framework in <i>catena</i>-poly[[di-μ~2~-hydroxido-bis[dioxouranium(VI)]]-di-μ~2~-2-pyridylacetato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>';κ^3^<i>O</i>:<i>O</i>',<i>N</i>]","Acta Crystallographica Section C","2008","64","1","m50","m52","10.1107/S010827010706249X","","","0.71073","MoKα","","0.0219","0.0185","","","0.0388","0.0394","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016400","4.9758","0.0007","8.6213","0.0013","25.521","0.004","90","","90","","90","","1094.8","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-1-(methylaminocarbonyl)-3-phenylpropanaminium chloride","","- C10 H15 Cl N2 O -","- C10 H15 Cl N2 O -","- C40 H60 Cl4 N8 O4 -","4","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.0695","0.0579","","","0.1463","0.1572","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016401","7.1167","0.0014","19.237","0.004","30.37","0.006","90","","90","","90","","4157.8","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride","","- C13 H19 Cl N2 O -","- C13 H19 Cl N2 O -","- C156 H228 Cl12 N24 O12 -","12","3","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.0774","0.0559","","","0.1176","0.1311","","","","","","0.985","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016402","7.123","0.001","19.232","0.003","30.384","0.004","90","","90","","90","","4162.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride","","- C13 H19 Cl N2 O -","- C13 H19 Cl N2 O -","- C156 H228 Cl12 N24 O12 -","12","3","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.1019","0.0713","","","0.1474","0.1705","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016403","9.632","0.0019","7.0446","0.0014","11.093","0.002","90","","105.82","0.03","90","","724.2","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","R enantiomer","(R)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride monohydrate","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C26 H42 Cl2 N4 O4 -","2","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.7977","synchrotron","","0.0873","0.056","","","0.1149","0.1298","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016404","9.6425","0.0014","7.0517","0.001","11.0895","0.0016","90","","105.796","0.002","90","","725.57","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","S enantiomer","(S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride monohydrate","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C26 H42 Cl2 N4 O4 -","2","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.7977","synchrotron","","0.0818","0.0539","","","0.1085","0.1219","","","","","","0.978","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016405","10.388","0.0017","15.715","0.003","10.1518","0.0016","90","","98.423","0.003","90","","1639.4","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-N',N'-dibutylselenourea","","- C16 H24 N2 O Se -","- C16 H24 N2 O Se -","- C64 H96 N8 O4 Se4 -","4","1","SF3058","Jocelyn C. Bruce; Klaus R. Koch","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-dibutylselenourea and its palladium(II) complex","Acta Crystallographica Section C","2008","64","1","m1","m4","10.1107/S0108270107053711","","","0.71073","MoKα","","0.051","0.0371","","","0.08","0.0853","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016406","9.9302","0.0008","10.9315","0.0009","15.4119","0.0013","80.216","0.001","88.291","0.001","81.867","0.001","1632","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(N-benzoyl-N',N'-dibutylselenoureato-κ^2^Se,O)palladium(II)","","- C32 H46 N4 O2 Pd Se2 -","- C32 H46 N4 O2 Pd Se2 -","- C64 H92 N8 O4 Pd2 Se4 -","2","1","SF3058","Jocelyn C. Bruce; Klaus R. Koch","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-dibutylselenourea and its palladium(II) complex","Acta Crystallographica Section C","2008","64","1","m1","m4","10.1107/S0108270107053711","","","0.71073","MoKα","","0.0244","0.0221","","","0.0554","0.0563","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016407","6.1299","0.0011","10.7515","0.0018","23.901","0.004","90","","90","","90","","1575.2","0.5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","sodium cacodylate trihydrate","penta-μ-aqua-disodium(I) bis(dimethylarsenate)","","- C2 H11 As Na O4.5 -","- C2 H11 As Na O4.5 -","- C16 H88 As8 Na8 O36 -","8","1","SF3063","Lennartson, Anders; Håkansson, Mikael","Investigation of commercial sodium cacodylate trihydrate: penta-μ-aqua-disodium(I) bis(dimethylarsenate) and di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)","Acta Crystallographica Section C","2008","64","1","m13","m16","10.1107/S0108270107055151","","","0.71073","MoKα","","0.0378","0.0326","","","0.0646","0.0667","","","","","","1.178","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2016408","11.516","0.003","8.838","0.002","19.635","0.005","90","","109.907","0.008","90","","1879","0.8","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium cacodylate tetrahydrate","di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)","","- C4 H28 As2 Na2 O12 -","- C4 H28 As2 Na2 O12 -","- C16 H112 As8 Na8 O48 -","4","0.5","SF3063","Lennartson, Anders; Håkansson, Mikael","Investigation of commercial sodium cacodylate trihydrate: penta-μ-aqua-disodium(I) bis(dimethylarsenate) and di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)","Acta Crystallographica Section C","2008","64","1","m13","m16","10.1107/S0108270107055151","","","0.71073","MoKα","","0.0202","0.0177","","","0.0432","0.0438","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016409","19.026","0.003","19.026","0.003","14.521","0.005","90","","90","","120","","4552.2","1.9","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[2-(morpholin-4-ylmethyl)phenyl-κ2C1,N]antimony(III)","","- C33 H42 N3 O3 Sb -","- C33 H42 N3 O3 Sb -","- C198 H252 N18 O18 Sb6 -","6","0.333333","SF3067","Copolovici, Dana; Silvestru, Cristian; Varga, Richard A.","Tris[2-(morpholin-4-ylmethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]antimony(III)","Acta Crystallographica Section C","2008","64","1","m37","m39","10.1107/S0108270107061896","","","0.71073","MoKα","","0.0409","0.0364","","","0.0787","0.0806","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016410","24.4198","0.0007","7.4511","0.0002","23.1654","0.0006","90","","115.772","0.001","90","","3795.78","0.18","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate","","- C33 H26 Au O P S10 -","- C33 H26 Au O P S10 -","- C132 H104 Au4 O4 P4 S40 -","4","1","SK3168","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Fan, Jian-Dong; Zhang, Guang-Hui; Ren, Quan","Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate and ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)","Acta Crystallographica Section C","2008","64","1","m46","m49","10.1107/S010827010706074X","","","0.71073","MoKα","","0.0304","0.0226","","","0.0496","0.0536","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016411","17.3058","0.0002","9.9306","0.0001","19.0668","0.0002","90","","103.959","0.001","90","","3180","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)","","- C26 H20 Au P S10 -","- C26 H20 Au P S10 -","- C104 H80 Au4 P4 S40 -","4","1","SK3168","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Fan, Jian-Dong; Zhang, Guang-Hui; Ren, Quan","Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate and ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)","Acta Crystallographica Section C","2008","64","1","m46","m49","10.1107/S010827010706074X","","","0.71073","MoKα","","0.0484","0.027","","","0.0506","0.0565","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016412","16.53","0.005","12.104","0.005","23.601","0.005","90","0.005","95.191","0.005","90","0.005","4703","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3-(2-hydroxyethyl)-4,10-diazapyrazolo[3,4-<i>b</i>]fluoren-9(3H)-one thiosemicarbazonato]zinc(II) dimethylformamide trisolvate monohydrate","","- C39 H47 N17 O6 S2 Zn -","- C39 H47 N17 O6 S2 Zn -","- C156 H188 N68 O24 S8 Zn4 -","4","1","SQ3102","Xi-Quan Che","Bis[1-(2-hydroxyethyl)-4,10-diazapyrazolo[4,3-<i>b</i>]fluoren-5(1<i>H</i>)-one thiosemicarbazonato]zinc(II) dimethylformamide trisolvate monohydrate","Acta Crystallographica Section C","2008","64","1","m5","m7","10.1107/S0108270107052602","","","0.71069","MoKα","","0.1367","0.0593","","","0.1347","0.1656","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2016413","8.9333","0.0004","12.1598","0.0004","14.0088","0.0006","90","","103.678","0.004","90","","1478.58","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","dichlorido[1,1'-(butane-1,3-diyl)-3,3',4,4'-tetramethyl-5,5'-diphenyl-2,2'- biphosphole]palladium(II) dichloromethane solvate","dichlorido(1,2,5,10,11-pentamethyl-3,9- diphenylperhydrodicyclopenta[a,c][1,4]diphosphepine-κ^2^P,P')palladium(II) dichloromethane solvate","","- C29 H32 Cl4 P2 Pd -","- C29 H32 Cl4 P2 Pd -","- C58 H64 Cl8 P4 Pd2 -","2","1","SQ3103","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","New enantiopure palladium(II) complexes from a stereodynamic 2,2'-biphosphole ligand","Acta Crystallographica Section C","2008","64","1","m43","m45","10.1107/S0108270107049347","","","0.71073","MoKα","","0.072","0.0512","","","0.1244","0.1427","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016414","8.963","0.003","12.139","0.005","13.989","0.006","90","","103.87","0.03","90","","1477.7","1","180","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dichlorido[1,1'-(butane-1,3-diyl)-3,3',4,4'-tetramethyl-5,5'-diphenyl-2,2'- biphosphole]palladium(II) dichloromethane solvate","dichlorido(1,2,5,10,11-pentamethyl-3,9- diphenylperhydrodicyclopenta[a,c][1,4]diphosphepine-κ^2^P,P')palladium(II) dichloromethane solvate","","- C29 H32 Cl4 P2 Pd -","- C29 H32 Cl4 P2 Pd -","- C58 H64 Cl8 P4 Pd2 -","2","1","SQ3103","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","New enantiopure palladium(II) complexes from a stereodynamic 2,2'-biphosphole ligand","Acta Crystallographica Section C","2008","64","1","m43","m45","10.1107/S0108270107049347","","","0.71073","MoKα","","0.1593","0.0799","","","0.176","0.2256","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016415","7.5635","0.0015","7.4984","0.0015","13.346","0.003","90","","102.06","0.03","90","","740.2","0.3","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulfide)tetraiodidoplatinum(IV)","","- C4 H12 I4 Pt S2 -","- C4 H12 I4 Pt S2 -","- C8 H24 I8 Pt2 S4 -","2","0.5","SQ3105","Janse van Rensburg, J. Marthinus; Oskarsson, Åke; Roodt, Andreas","<i>cis</i>‒<i>trans</i> Isomers of Pt<i>X</i>~4~<i>L</i>~2~ (<i>X</i> = halogen and <i>L</i> = neutral ligand): <i>trans</i>-bis(dimethyl sulfide)tetraiodidoplatinum(IV)","Acta Crystallographica Section C","2008","64","1","m40","m42","10.1107/S0108270107060799","","","0.71073","MoKα","","","0.0292","","","","0.0649","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016416","12.574","0.005","7.679","0.005","6.321","0.005","90","","114.351","0.005","90","","556","0.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","diaquadinitramidatolithium(I)","","- H4 Li N3 O6 -","- H4 Li N3 O6 -","- H16 Li4 N12 O24 -","4","0.5","SQ3109","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","Oxygen <i>versus</i> nitrogen interactions in lithium dinitramidate dihydrate and pyridinium dinitramidate","Acta Crystallographica Section C","2008","64","1","m17","m19","10.1107/S0108270107054212","","","0.71073","MoKα","","0.0656","0.0329","","","0.0637","0.0694","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016417","3.7009","0.0002","14.4548","0.0007","14.6214","0.0008","90","","94.281","0.006","90","","780","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","pyridinium dinitramidate","","- C5 H6 N4 O4 -","- C5 H6 N4 O4 -","- C20 H24 N16 O16 -","4","1","SQ3109","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","Oxygen <i>versus</i> nitrogen interactions in lithium dinitramidate dihydrate and pyridinium dinitramidate","Acta Crystallographica Section C","2008","64","1","m17","m19","10.1107/S0108270107054212","","","0.71073","MoKα","","0.0975","0.0349","","","0.0656","0.0771","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016418","13.4079","0.0008","6.5765","0.0004","16.039","0.0009","90","","106.283","0.001","90","","1357.54","0.14","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","poly[bis(μ-6-mercaptonicotinato-κ^2^S:O)zinc(II)]","","- C12 H8 N2 O4 S2 Zn -","- C12 H8 N2 O4 S2 Zn -","- C48 H32 N8 O16 S8 Zn4 -","4","1","SQ3111","Yong Wang; Dong-Xia Zhu; Zhong-Min Su; Kui-Zhan Shao; Ya-Hui Zhao","A novel two-dimensional zinc(II) coordination polymer with 6-mercaptonicotinic acid","Acta Crystallographica Section C","2008","64","1","m70","m72","10.1107/S0108270107063962","","","0.71073","MoKα","","0.0474","0.0336","","","0.0851","0.0942","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016419","8.7306","0.0005","10.3274","0.0005","15.5205","0.0009","90","","105.623","0.003","90","","1347.7","0.13","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Bis(acetato-κO)bis(dimethyl sulfide-κS)platinum(II)","","- C8 H18 O4 Pt S2 -","- C8 H18 O4 Pt S2 -","- C32 H72 O16 Pt4 S8 -","4","1","SQ3114","Hansson, Christian; Oskarsson, Åke","<i>cis</i>-Bis(acetato-κ<i>O</i>)bis(dimethyl sulfide-κ<i>S</i>)platinum(II)","Acta Crystallographica Section C","2008","64","1","m61","m63","10.1107/S0108270107061902","","","0.71073","MoKα","","0.0428","0.0294","","","0.0698","0.0728","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016420","6.9091","0.0005","8.6855","0.0007","34.899","0.003","90","","92.974","0.001","90","","2091.4","0.3","298","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua[3-(2-pyridylsulfanyl)propionato N-oxide-κO^1^]copper(II)]-μ-[3-(2-pyridylsulfanyl)propionato N-oxide-κ^3^O^3^:O^1^,O^1'^] dihydrate]","","- C16 H22 Cu N2 O9 S2 -","- C16 H22 Cu N2 O9 S2 -","- C64 H88 Cu4 N8 O36 S8 -","4","1","TR3018","Murugan Indrani; Ramasamy Ramasubramanian; Sudalaiandi Kumaresan; Mao-Lin Hu; Manuel Soriano-García","<i>catena</i>-Poly[[[aqua[3-(2-pyridylsulfanyl)propionato <i>N</i>-oxide-κ<i>O</i>^1^]copper(II)]-μ-[3-(2-pyridylsulfanyl)propionato <i>N</i>-oxide-κ^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^] dihydrate]","Acta Crystallographica Section C","2008","64","1","m23","m25","10.1107/S0108270107051670","","","0.71073","MoKα","","0.0497","0.0456","","","0.1092","0.1172","","","","","","1.193","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016421","13.2702","0.0006","14.993","0.0007","14.0947","0.0007","90","","115.471","0.001","90","","2531.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate","","- C11 H12 N2 O6 S -","- C11 H12 N2 O6 S -","- C88 H96 N16 O48 S8 -","8","2","AV3124","Meng, Xiang-Gao; Xiao, Yi-Long; Wang, Zi-Liang; Liu, Chang-Lin","Three-dimensional networks in 5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate and bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2008","64","2","o53","o57","10.1107/S0108270107067273","","","0.71073","MoKα","","0.1172","0.061","","","0.1357","0.1575","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016422","9.5394","0.0005","17.8475","0.0009","10.4174","0.0005","90","","94.136","0.001","90","","1768.99","0.15","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate","","- C15 H18 N4 O6 S -","- C15 H18 N4 O6 S -","- C60 H72 N16 O24 S4 -","4","1","AV3124","Meng, Xiang-Gao; Xiao, Yi-Long; Wang, Zi-Liang; Liu, Chang-Lin","Three-dimensional networks in 5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate and bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2008","64","2","o53","o57","10.1107/S0108270107067273","","","0.71073","MoKα","","0.0523","0.0421","","","0.1382","0.1548","","","","","","0.816","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016423","23.898","0.002","10.4791","0.0009","15.9302","0.0013","90","","119.412","0.001","90","","3475.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-ethyl-1,4-dioxo-2,2a,3,4,6,7-hexahydro-1H,5H-2,3,4a,6,7a- pentaazacyclopenta[cd]indene-2a,7b-dicarboxylate","","- C14 H21 N5 O6 -","- C14 H21 N5 O6 -","- C112 H168 N40 O48 -","8","1","AV3132","Li-Ping Cao; Xiang-Gao Meng; Meng Gao; Neng-Fang She; An-Xin Wu","Two-dimensional hydrogen-bonded networks in two novel glycoluril derivatives","Acta Crystallographica Section C","2008","64","2","o69","o72","10.1107/S0108270107067108","","","0.71073","Mokα","","0.1003","0.0689","","","0.1579","0.1723","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016424","8.0724","0.0005","11.6462","0.0007","19.2338","0.0012","90","","100.462","0.001","90","","1778.16","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-ethyl-2a,7b-diphenyl-2,2a,3,4,6,7-hexahydro-1H,5H-2,3,4a,6,7a- pentaazacyclopenta[cd]azulene-1,4-dione","","- C20 H21 N5 O2 -","- C20 H21 N5 O2 -","- C80 H84 N20 O8 -","4","1","AV3132","Li-Ping Cao; Xiang-Gao Meng; Meng Gao; Neng-Fang She; An-Xin Wu","Two-dimensional hydrogen-bonded networks in two novel glycoluril derivatives","Acta Crystallographica Section C","2008","64","2","o69","o72","10.1107/S0108270107067108","","","0.71073","Mokα","","0.1032","0.0632","","","0.1435","0.1587","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016425","6.7224","0.0015","10.326","0.002","14.694","0.003","109.331","0.004","100.233","0.004","90.803","0.004","944.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±)-2-(4-methoxyphenyl)-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C46 H44 N4 O4 -","2","1","DN3077","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Two quinazolinones: a ring conformational study","Acta Crystallographica Section C","2008","64","2","o80","o83","10.1107/S0108270107068850","","","0.71073","MoKα","","0.0949","0.0637","","","0.1659","0.1897","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016426","29.84","0.005","6.6467","0.001","20.587","0.003","90","","109.529","0.002","90","","3848.3","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(±)-2-(1,3-benzodioxol-5-yl))-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","DN3077","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Two quinazolinones: a ring conformational study","Acta Crystallographica Section C","2008","64","2","o80","o83","10.1107/S0108270107068850","","","0.71073","MoKα","","0.1039","0.0866","","","0.1851","0.1939","","","","","","1.281","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016427","12.533","0.005","12.533","0.005","20.763","0.006","90","","90","","120","","2824.4","1.8","173","1","173","1","","","","","","","","3","R -3 :H","-R 3","148","","hexaphenylhexaphosphinane benzene solvate","","- C42 H36 P6 -","- C42 H36 P6 -","- C126 H108 P18 -","3","0.166667","GA3071","Jan J. Weigand; Andreas Decken; Neil Burford","Hexaphenylhexaphosphinane benzene solvate","Acta Crystallographica Section C","2008","64","2","o64","o66","10.1107/S0108270107067248","","","0.71073","MoKα","","0.0351","0.03","","","0.0812","0.088","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016428","7.2144","0.0003","14.0623","0.0006","16.7536","0.0008","90","","90","","90","","1699.67","0.13","140","1","140","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Phenyluridine 2.06-hydrate","","- C15 H17.75 N2 O9.06 -","- C15 H17.75 N2 O9.06 -","- C60 H71 N8 O36.24 -","4","1","GD3149","Pesnot, Thomas; Hughes, David L.; Wagner, Gerd K.","5-Phenyluridine trihydrate","Acta Crystallographica Section C","2008","64","2","o44","o46","10.1107/S0108270107064177","","","0.71073","Mo-Kα","","0.0829","0.0577","","","0.1008","0.1112","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016429","12.5239","0.0003","7.7987","0.0002","10.3585","0.0003","90","","109.523","0.002","90","","953.55","0.04","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethane-1,1,2-trisphosphonic acid hemihydrate","","- C2 H10 O9.5 P3 -","- C2 H10 O9.5 P3 -","- C8 H40 O38 P12 -","4","1","GD3158","Delain-Bioton, Lise; Lohier, Jean-François; Villemin, Didier; Sopková-de Oliveira Santos, Jana; Hix, Gary; Jaffrès, Paul-Alain","Ethane-1,1,2-trisphosphonic acid hemihydrate","Acta Crystallographica Section C","2008","64","2","o47","o49","10.1107/S0108270107064098","","","0.71073","MoKα","","0.0606","0.0345","","","0.082","0.0953","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016430","10.8828","0.0002","11.4746","0.0002","20.9073","0.0004","90","","90","","90","","2610.82","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2,2,2-trinitroethyl)carbonate","bis(2,2,2-trinitroethyl) carbonate","","- C5 H4 N6 O15 -","- C5 H4 N6 O15 -","- C40 H32 N48 O120 -","8","1","GD3179","Göbel, Michael; Thomas M. Klapötke","Exceeding the oxygen content of liquid oxygen: bis(2,2,2-trinitroethyl) carbonate","Acta Crystallographica Section C","2008","64","2","o58","o60","10.1107/S0108270107066632","","","0.71073","MoKα","","0.0445","0.0272","","","0.0617","0.0681","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016431","11.2076","0.0011","8.491","0.0007","14.1867","0.0015","90","","99.457","0.008","90","","1331.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-4-(4-methoxyphenyl)-10-oxa- 4-azatricyclo[5.2.1.0^2,6^]dec-8-en-3-one","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","GD3181","Aytaç Gürhan Gökçe; Cumali Çelik; Muhittin Aygün; Nüket Öcal; Orhan Büyükgüngör","Supramolecular structure of racemic 5-hydroxy-4-(4-methoxyphenyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-3-one","Acta Crystallographica Section C","2008","64","2","o98","o100","10.1107/S0108270108000504","","","0.71073","MoKα","","0.093","0.0461","","","0.0911","0.1054","","","","","","0.953","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016432","10.832","0.0018","10.9131","0.0019","16.47","0.003","77.302","0.011","74.481","0.012","63.112","0.011","1662","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(melamin-1-ium) naphthalene-1,5-disulfonate melamine pentahydrate","","- C19 H36 N18 O11 S2 -","- C19 H36 N18 O11 S2 -","- C38 H72 N36 O22 S4 -","2","1","GD3182","Jan Janczak; Genivaldo Júlio Perpétuo","Three-dimensional hydrogen-bonded framework in bis(melamin-1-ium) naphthalene-1,5-disulfonate melamine pentahydrate","Acta Crystallographica Section C","2008","64","2","o91","o94","10.1107/S0108270108000462","","","0.71073","MoKα","","0.157","0.0484","","","0.0763","0.0883","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016433","15.5459","0.0016","6.1017","0.0006","25.163","0.003","90","","100.539","0.002","90","","2346.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone","","- C28 H33 N3 O -","- C28 H33 N3 O -","- C112 H132 N12 O4 -","4","1","GG3130","Vladimir N. Nesterov; Lev N. Zakharov; Sergey S. Sarkisov; Michael J. Curley; Augustine Urbas","3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone and 3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone: potential biophotonic materials","Acta Crystallographica Section C","2008","64","2","o73","o75","10.1107/S0108270107067741","","","0.71073","MoKα","","0.0701","0.0467","","","0.1077","0.1224","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016434","25.786","0.002","10.0852","0.0008","8.2389","0.0007","90","","90","","90","","2142.6","0.3","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","0.5","GG3130","Vladimir N. Nesterov; Lev N. Zakharov; Sergey S. Sarkisov; Michael J. Curley; Augustine Urbas","3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone and 3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone: potential biophotonic materials","Acta Crystallographica Section C","2008","64","2","o73","o75","10.1107/S0108270107067741","","","0.71073","MoKα","","0.0551","0.0402","","","0.0889","0.0967","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016435","15.6634","0.0016","5.5531","0.0005","17.6928","0.0018","90","","116.315","0.008","90","","1379.4","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cyclopentadecanone","","- C15 H28 O -","- C15 H28 O -","- C60 H112 O4 -","4","1","GZ3125","Noe, Eric A.; Pawar, Diwakar M.; Fronczek, Frank R.","Cyclopentadecanone","Acta Crystallographica Section C","2008","64","2","o67","o68","10.1107/S0108270107066139","","","1.54178","CuKα","","0.071","0.059","","","0.155","0.164","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016436","10.3214","0.0016","16.474","0.002","23.812","0.002","90","","90","","90","","4048.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[μ-6,6'-dimethoxy-2,2'-[propane-1,2-\ diylbis(iminomethylene)]diphenolato]bis[aquacopper(II)] dihydrate","","- C38 H56 Cu2 N4 O12 -","- C38 H56 Cu2 N4 O12 -","- C152 H224 Cu8 N16 O48 -","4","0.5","HJ3052","Liu, Y.-F.; Xia, H.-T.; Yang, Shu-Ping; Wang, Da-Qi","Bis{μ-6,6'-dimethoxy-2,2'-[propane-1,2-diylbis(iminomethylene)]diphenolato}bis[aquacopper(II)] dihydrate","Acta Crystallographica Section C","2008","64","2","m91","m93","10.1107/S0108270107049311","","","0.71073","MoKα","","0.0817","0.0421","","","0.0957","0.1176","","","","","","1.004","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2016437","8.987","0.004","14.075","0.006","16.208","0.007","90","","95.913","0.006","90","","2039.3","1.5","291","","291","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[N-(4,4-diphenyl-5-oxo-4,5-dihydro-1H-imidazol-2- yl)glycinato]copper(II) dimethylformamide disolvate","","- C40 H42 Cu N8 O8 -","- C40 H42 Cu N8 O8 -","- C80 H84 Cu2 N16 O16 -","2","0.5","HJ3059","Sieroń, Lesław; Kieć-Kononowicz, Katarzyna; Karolak-Wojciechowska, Janina","Four- and five-coordinate copper(II) complexes with <i>N</i>-(4,4-diphenyl-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)glycine","Acta Crystallographica Section C","2008","64","2","m79","m82","10.1107/S0108270107055965","","","0.71073","MoKα","","0.069","0.0505","","","0.1238","0.1297","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016438","8.7305","0.0003","30.0213","0.0005","9.0447","0.0002","90","","118.102","0.004","90","","2091.15","0.12","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","aquabis[N-(4,4-diphenyl-5-oxo-4,5-dihydro-1H-imidazol-2- yl)glycinato]copper(II) dimethylformamide disolvate","","- C40 H44 Cu N8 O9 -","- C40 H44 Cu N8 O9 -","- C80 H88 Cu2 N16 O18 -","2","1","HJ3059","Sieroń, Lesław; Kieć-Kononowicz, Katarzyna; Karolak-Wojciechowska, Janina","Four- and five-coordinate copper(II) complexes with <i>N</i>-(4,4-diphenyl-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)glycine","Acta Crystallographica Section C","2008","64","2","m79","m82","10.1107/S0108270107055965","","","0.71073","MoKα","","0.031","0.0259","","","0.0637","0.0662","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016439","6.192","0.0015","9.192","0.002","10.546","0.002","73.69","0.02","85.634","0.017","82.83","0.03","571.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-1-(4-methoxybenzoyl)-3-methylpyrazole","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","HJ3064","Quiroga, Jairo; Portilla, Jaime; Low, John N.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded chain of rings in 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole and a three-dimensional hydrogen-bonded framework in 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","Acta Crystallographica Section C","2008","64","2","o76","o79","10.1107/S0108270107067522","","","0.71073","MoKα","","0.0757","0.0496","","","0.1189","0.1423","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016440","11.4212","0.0015","7.1787","0.0014","13.2595","0.001","90","","90","","90","","1087.1","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","HJ3064","Quiroga, Jairo; Portilla, Jaime; Low, John N.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded chain of rings in 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole and a three-dimensional hydrogen-bonded framework in 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","Acta Crystallographica Section C","2008","64","2","o76","o79","10.1107/S0108270107067522","","","0.71073","MoKα","","0.0453","0.0385","","","0.0906","0.097","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016441","6.609","0.003","10.322","0.005","11.714","0.005","90","","92.04","0.05","90","","798.6","0.6","110","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium cis-tetrachloridodioxidorhenate(VII)'","","- Cl4 Cs O2 Re -","- Cl4 Cs O2 Re -","- Cl16 Cs4 O8 Re4 -","4","1","IZ3041","Hołyńska, Małgorzata; Lis, Tadeusz","Caesium <i>cis</i>-tetrachloridodioxidorhenate(VII)","Acta Crystallographica Section C","2008","64","2","i18","i20","10.1107/S0108270107067996","","","0.71073","MoKα","","0.0879","0.0322","","","0.0308","0.0339","","","","","","0.771","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016442","13.6695","0.0009","11.5996","0.0008","17.1524","0.0012","90","","93.673","0.001","90","","2714.1","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[μ-4,4'-(methylenedithio)dipyridine-κ^2^<i>N</i>:<i>N</i>'- μ-iodido-copper(I)]","","- C11 H10 Cu I N2 S2 -","- C11 H10 Cu I N2 S2 -","- C88 H80 Cu8 I8 N16 S16 -","8","1","LN3073","Zhang, Lei; Xie, Han-Yuan; Shi, Wen-Juan","A twofold parallel interpenetration network from the assembly of a flexible spacer and CuI: poly[μ-iodido-μ-4,4'-(methylenedithio)dipyridine-κ^2^<i>N</i>:<i>N</i>'-copper(I)]","Acta Crystallographica Section C","2008","64","2","m76","m78","10.1107/S0108270107064669","","","0.71073","MoKα","","0.0259","0.0229","","","0.0549","0.0563","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016443","13.7461","0.0018","23.674","0.003","26.781","0.003","90","","90","","90","","8715.2","1.9","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(dibenzoylmethylene-κ<i>C</i>)(ethanol-κ<i>O</i>){5,10,15,20- tetrakis[(1<i>S</i>,4<i>R</i>,5<i>R</i>,8<i>S</i>)-1,2,3,4,5,6,7,8-octahydro- 1,4:5,8-dimethanoanthracen-9-yl]porphyrinato-κ^4^<i>N</i>}ruthenium(II)‒ ethanol‒dichloromethane (1/2/2)","","- C107 H108 Cl4 N4 O5 Ru -","- C107 H108 Cl4 N4 O5 Ru -","- C428 H432 Cl16 N16 O20 Ru4 -","4","1","LN3081","Hirasawa, Kai; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Enantiomorphs of a carbene‒ruthenium(II)‒porphyrin complex with four `chiral pillars'","Acta Crystallographica Section C","2008","64","2","m97","m100","10.1107/S0108270107068059","","","0.71073","MoKα","","0.0661","0.0572","","","0.1275","0.1343","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016444","13.7694","0.0015","23.691","0.003","26.794","0.003","90","","90","","90","","8740.5","1.8","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(dibenzoylmethylene-κ<i>C</i>)(ethanol-κ<i>O</i>)[5,10,15,20-tetrakis-\ {(1<i>R</i>,4<i>S</i>,5<i>S</i>,8<i>R</i>)-1,2,3,4,5,6,7,8-octahydro-1,4:5,\ 8-dimethanoanthracen-9-yl}porphyrinato-κ^4^<i>N</i>]ruthenium(II) dichloromethane disolvate ethanol disolvate","","- C107 H108 Cl4 N4 O5 Ru -","- C107 H108 Cl4 N4 O5 Ru -","- C428 H432 Cl16 N16 O20 Ru4 -","4","1","LN3081","Hirasawa, Kai; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Enantiomorphs of a carbene‒ruthenium(II)‒porphyrin complex with four `chiral pillars'","Acta Crystallographica Section C","2008","64","2","m97","m100","10.1107/S0108270107068059","","","0.71073","MoKα","","0.0586","0.0517","","","0.1182","0.1234","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016445","4.5536","0.0004","6.001","0.0007","15.011","0.002","99.025","0.011","90.581","0.011","98.832","0.011","400.06","0.08","295","","295","","","","","","","","","5","P -1","-P 1","2","","3-carboxyanilinium bromide","","- C7 H8 Br N O2 -","- C7 H8 Br N O2 -","- C14 H16 Br2 N2 O4 -","2","1","LN3083","Dominik Cinčić; Branko Kaitner","Hydrogen-bonding motifs in 3-carboxyanilinium bromide and iodide","Acta Crystallographica Section C","2008","64","2","o101","o104","10.1107/S0108270108001078","","","0.71073","MoKα","","0.0359","0.0291","","","0.0738","0.0772","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016446","11.1815","0.0006","23.1582","0.0008","6.9066","0.0004","90","","90","","90","","1788.42","0.15","295","","295","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","3-carboxyanilinium iodide","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C56 H64 I8 N8 O16 -","8","1","LN3083","Dominik Cinčić; Branko Kaitner","Hydrogen-bonding motifs in 3-carboxyanilinium bromide and iodide","Acta Crystallographica Section C","2008","64","2","o101","o104","10.1107/S0108270108001078","","","0.71073","MoKα","","0.0382","0.0301","","","0.0714","0.0783","","","","","","1.248","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016447","9.4531","0.0019","10.869","0.002","14.1","0.003","87.86","0.03","73.28","0.03","84.63","0.03","1381.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^N,N')(benzene-1,3,5-tricarboxylic acid-O)cadmium(II)]-μ-oxalato] 1<i>H</i>-benzotriazole solvate monohydrate]","","- C29 H21 Cd N5 O11 -","- C29 H21 Cd N5 O11 -","- C58 H42 Cd2 N10 O22 -","2","1","SF3065","Chao Qin; Xin-Long Wang; En-Bo Wang","<i>catena</i>-Poly[[[(benzene-1,3,5-tricarboxylic acid)(1,10-phenanthroline)cadmium(II)]-μ-oxalato] 1<i>H</i>-benzotriazole solvate monohydrate]","Acta Crystallographica Section C","2008","64","2","m73","m75","10.1107/S0108270107064578","","","0.71073","MoKα","","0.0963","0.0563","","","0.1027","0.1191","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016448","7.166","0.002","6.3924","0.0016","18.518","0.004","90","","96.876","0.012","90","","842.2","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-<i>O</i>-β-L-fucopyranosyl α-D-glucopyranoside monohydrate","","- C13 H26 O11 -","- C13 H26 O11 -","- C26 H52 O22 -","2","1","SF3069","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Methyl 2-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside monohydrate: a synchrotron study","Acta Crystallographica Section C","2008","64","2","o31","o32","10.1107/S0108270107059756","","","0.872","synchrotron","","0.0455","0.045","","","0.1197","0.1201","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016449","12.8417","0.0018","10.8158","0.0016","21.79","0.004","90","","100.106","0.005","90","","2979.5","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[2-(3-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","","- C39 H36 B N O -","- C39 H36 B N O -","- C156 H144 B4 N4 O4 -","4","1","SK3171","Dan Jin; Zhao-Fu Dai; De-Chun Zhang","4-[2-(3-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2008","64","2","o50","o52","10.1107/S0108270107065286","","","0.7107","MoKα","","0.0973","0.0691","","","0.1325","0.1437","","","","","","1.179","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016450","14.0905","0.0002","23.9088","0.0003","14.2504","0.0002","90","","98.7921","0.0007","90","","4744.36","0.11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aquachloridobis(1,10-phenanthroline)cobalt(II) chloride dichloridobis(1,10-phenanthroline)cobalt(II) hexahydrate","","- C48 H46 Cl4 Co2 N8 O7 -","- C48 H42 Cl4 Co2 N8 O7 -","- C192 H168 Cl16 Co8 N32 O28 -","4","1","SK3176","Janice M. Rubin-Preminger; Leonid Kozlov; Israel Goldberg","Hydrogen-bonding and π‒π stacking interactions in aquachloridobis(1,10-phenanthroline)cobalt(II) chloride dichloridobis(1,10-phenanthroline)cobalt(II) hexahydrate","Acta Crystallographica Section C","2008","64","2","m83","m86","10.1107/S0108270107064803","","","0.71073","MoKα","","0.1148","0.0621","","","0.1515","0.1789","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016451","10.132","0.001","9.887","0.002","12.169","0.004","90","","107.46","0.02","90","","1162.9","0.5","173","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Diethoxy-1,4-bis[(trimethylsilyl)ethynyl]benzene","","- C20 H30 O2 Si2 -","- C20 H30 O2 Si2 -","- C40 H60 O4 Si4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.0481","","","","0.1752","","","","","","0.761","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016452","9.748","0.002","8.89","0.002","7.566","0.002","90","","112.74","0.03","90","","604.7","0.3","173","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Diethoxy-1,4-diethynylbenzene","","- C14 H14 O2 -","- C14 H14 O2 -","- C28 H28 O4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.0381","","","","0.0949","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016453","6.7246","0.0002","16.7456","0.0005","9.8026","0.0003","90","","97.32","0.002","90","","1094.85","0.06","173","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Diethynyl-2,5-bis(heptyloxy)benzene","","- C24 H34 O2 -","- C24 H34 O2 -","- C48 H68 O4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.044","","","","0.1066","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016454","11.854","0.0002","11.854","0.0002","15.1708","0.0005","90","","90","","90","","2131.76","0.09","298","2","298","2","","","","","","","","6","I -4 2 m","I -4 2","121","Potassium cadmium(II) pentadicyanamide tetrahydrate","poly[potassium [diaquapenta-μ~2~-dicyanamidato-dicadmium(II)] dihydrate]","","- C10 H8 Cd2 K N15 O4 -","- C10 H8 Cd2 K N15 O4 -","- C40 H32 Cd8 K4 N60 O16 -","4","0.25","SK3182","Schlueter, John A.; Geiser, Urs; Funk, Kylee A.","KCd~2~[N(CN)~2~]~5~(H~2~O)~4~: an enmeshed honeycomb grid","Acta Crystallographica Section C","2008","64","2","i9","i11","10.1107/S0108270107061628","","","0.71073","MoKα","","0.0135","0.013","","","0.0333","0.0338","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016455","13.0192","0.0004","6.0581","0.0002","16.3514","0.0004","90","","103.915","0.002","90","","1251.81","0.07","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dom1","2-(2-tert-butylcyclohex-3-enyl)propan-2-ol","","- C13 H24 O -","- C13 H24 O -","- C52 H96 O4 -","4","1","SK3183","Kakou-Yao, Rita; Sessouma, Bintou; Aycard, Jean Pierre","An axial <i>tert</i>-butyl group in strained cyclohexene: X-ray analysis and theoretical calculations of 2-(2-<i>tert</i>-butylcyclohex-3-enyl)propan-2-ol","Acta Crystallographica Section C","2008","64","2","o61","o63","10.1107/S0108270107065468","","","0.71073","MoKα","","0.0872","0.0567","","0.1246","0.1047","0.1047","","","","","","0.9125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016456","10.0953","0.0005","13.5645","0.0008","21.8864","0.0014","81.731","0.005","86.437","0.005","71.422","0.005","2810.9","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","{2-[(2-hydroxyethyl)iminiomethyl]phenolato-κO}dioxido(2-[(2-\ oxidoethyl)iminomethyl]phenolato-κ^3^O,N,O')molybdenum(VI)","","- C18 H20 Mo N2 O6 -","- C18 H20 Mo N2 O6 -","- C108 H120 Mo6 N12 O36 -","6","3","SK3193","Agustin, Dominique; Jean-Claude Daran; Poli, Rinaldo","Polymorph of {2-[(2-hydroxyethyl)iminiomethyl]phenolato-κ<i>O</i>}dioxido{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}molybdenum(VI)","Acta Crystallographica Section C","2008","64","2","m101","m104","10.1107/S0108270108000127","","","0.71073","MoKα","","0.0551","0.0393","","","0.0988","0.1051","","","","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016457","6.3201","0.0007","5.2972","0.0008","19.429","0.002","90","","95.084","0.009","90","","647.9","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-propyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5,6-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","SK3197","Sugiono, Erli; Bolte, Michael","Two polymorphs of 4-propyl-3,4-dihydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-5,6-dione","Acta Crystallographica Section C","2008","64","2","o84","o86","10.1107/S0108270108001170","","","0.71073","MoKα","","0.0595","0.0405","","","0.0818","0.0871","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016458","5.2833","0.0007","6.3043","0.0008","38.753","0.006","90","","90","","90","","1290.8","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-propyl-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]pyran-5,6-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","SK3197","Sugiono, Erli; Bolte, Michael","Two polymorphs of 4-propyl-3,4-dihydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-5,6-dione","Acta Crystallographica Section C","2008","64","2","o84","o86","10.1107/S0108270108001170","","","0.71073","MoKα","","0.089","0.0462","","","0.0963","0.1077","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016459","21.561","0.0016","7.2378","0.0005","12.152","0.0009","90","","92.58","0.001","90","","1894.4","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","adamantane-1,3-dicarboxylic acid‒4,4'-bipyridine (1/1)","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","0.5","SQ3107","Pan, Yue; Li, Kunhao; Bi, Wenhua; Li, Jing","Cocrystallization of adamantane-1,3-dicarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2008","64","2","o41","o43","10.1107/S0108270107058672","","","0.71073","MoKα","","0.0554","0.0481","","","0.1147","0.1206","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016460","4.9351","0.001","4.9351","0.001","18.38","0.004","90","","90","","120","","387.68","0.14","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","lithium copper aluminide","","- Al4.84 Cu13.16 Li8 -","- Al4.844 Cu13.156 Li8 -","- Al4.844 Cu13.156 Li8 -","1","0.0416667","SQ3108","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Pauly, Hermann; Ehrenberg, Helmut","Li~8~Cu~12+<i>x~</i>Al~6{-~<i>x</i>} (<i>x</i> = 1.16): a new structure type related to Laves phases","Acta Crystallographica Section C","2008","64","2","i15","i17","10.1107/S0108270107065985","","","0.71073","MoKα","","0.0514","0.0274","","","0.0526","0.0581","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016461","5.0667","0.0007","5.055","0.0007","12.3975","0.0015","90","","97.63","0.013","90","","314.72","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","iron(III) oxyfluorotellurates(IV)","","- F Fe O3 Te -","- F Fe O3 Te -","- F4 Fe4 O12 Te4 -","4","1","SQ3115","Laval, Jean Paul; Jennene Boukharrata, Nefla; Thomas, Philippe","New oxyfluorotellurates(IV): <i>M</i>TeO~3~F (<i>M</i> = Fe^III^, Ga^III^ and Cr^III^)","Acta Crystallographica Section C","2008","64","2","i12","i14","10.1107/S0108270107062683","","","0.71073","MoKα","","0.0373","0.0209","","","0.0333","0.036","","","","","","0.993","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016462","5.0625","0.0007","4.9873","0.0007","12.1662","0.0015","90","","97.952","0.013","90","","304.22","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","gallium(III) oxyfluorotellurates(IV)","","- F Ga O3 Te -","- F Ga O3 Te -","- F4 Ga4 O12 Te4 -","4","1","SQ3115","Laval, Jean Paul; Jennene Boukharrata, Nefla; Thomas, Philippe","New oxyfluorotellurates(IV): <i>M</i>TeO~3~F (<i>M</i> = Fe^III^, Ga^III^ and Cr^III^)","Acta Crystallographica Section C","2008","64","2","i12","i14","10.1107/S0108270107062683","","","0.71073","MoKα","","0.0191","0.0173","","","0.0416","0.042","","","","","","1.207","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016463","12.9088","0.0015","7.5727","0.0006","9.6922","0.0011","90","","102.051","0.013","90","","926.58","0.17","183","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dinitrosylbis(glycinato-κ^2^<i>N</i>,<i>O</i>)molybdenum(IV)","","- C4 H8 Mo N4 O6 -","- C4 H8 Mo N4 O6 -","- C16 H32 Mo4 N16 O24 -","4","1","SQ3117","Bucher, Jolanta; Blacque, Olivier; Schmalle, Helmut W.; Berke, Heinz","Bis(glycinato-κ^2^<i>N</i>,<i>O</i>)dinitrosylmolybdenum(0) and bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(0) acetonitrile monosolvate","Acta Crystallographica Section C","2008","64","2","m87","m90","10.1107/S0108270107065584","","","0.71073","MoKα","","","0.0209","","","","0.0509","","","","","","0.931","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016464","8.866","0.0007","8.598","0.0007","18.0218","0.0016","90","","102.487","0.01","90","","1341.3","0.2","183","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(IV) acetonitrile monosolvate","","- C6 H15 Mo N5 O2 S2 -","- C6 H15 Mo N5 O2 S2 -","- C24 H60 Mo4 N20 O8 S8 -","4","1","SQ3117","Bucher, Jolanta; Blacque, Olivier; Schmalle, Helmut W.; Berke, Heinz","Bis(glycinato-κ^2^<i>N</i>,<i>O</i>)dinitrosylmolybdenum(0) and bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(0) acetonitrile monosolvate","Acta Crystallographica Section C","2008","64","2","m87","m90","10.1107/S0108270107065584","","","0.71073","MoKα","","0.0564","0.0491","","","0.1375","0.1449","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016465","27.022","0.003","9.114","0.001","17.005","0.003","90","","118.116","0.01","90","","3693.8","0.9","297","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[<i>N</i>-benzoyl-<i>N</i>'-(2-hydroxyethyl)-\ <i>N</i>''-(2-pyridyl)guanidine]chloridocopper(II)] chloride monohydrate]","","- C15 H17.22 Cl2 Cu N4 O2.61 -","- C15 H16 Cl2 Cu N4 O2.61 -","- C120 H128 Cl16 Cu8 N32 O20.88 -","8","1","SU3009","Sabino, Jose R.; Cunha, Silvio; Souza, Aparecido R.; Quintino, Michelle P.","<i>catena</i>-Poly[[[1-benzoyl-2-(2-hydroxyethyl)-3-(2-pyridyl)guanidine]chloridocopper(II)] chloride 0.61-hydrate]","Acta Crystallographica Section C","2008","64","2","m94","m96","10.1107/S0108270107067042","","","1.5418","CuKα","","0.0537","0.0476","","","0.1336","0.1384","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016466","3.8276","0.0005","7.1042","0.0009","23.238","0.003","90","","91.151","0.002","90","","631.76","0.14","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-Chlorobenzylidenehydrazono)benzonitrile","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C30 H20 Cl2 N6 -","2","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.082","0.066","","","0.153","0.162","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016467","4.6904","0.0007","5.9498","0.0007","11.4426","0.0016","98.361","0.002","93.317","0.002","96.823","0.001","312.78","0.07","174","2","174","2","","","","","","","","4","P 1","P 1","1","","4-(4-Chlorobenzylidenehydrazono)benzonitrile","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.046","0.045","","0.117","","0.116","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016468","4.6963","0.0012","6.0023","0.0015","11.585","0.003","99.493","0.01","93.767","0.01","96.629","0.009","318.74","0.14","174","2","174","2","","","","","","","","4","P 1","P 1","1","","4-(4-Bromobenzylidenehydrazono)benzonitrile","","- C15 H10 Br N3 -","- C15 H10 Br N3 -","- C15 H10 Br N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.025","0.025","","","0.064","0.064","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016469","4.7165","0.0003","6.1524","0.0004","11.9054","0.0008","101.271","0.002","94.588","0.002","96.038","0.003","335.13","0.04","173","2","173","2","","","","","","","","4","P 1","P 1","1","","4-(4-Iodobenzylidenehydrazono)benzonitrile","","- C15 H10 I N3 -","- C15 H10 I N3 -","- C15 H10 I N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.023","0.023","","","0.059","0.059","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016470","8.2616","0.0018","8.2616","0.0018","17.517","0.004","90","","90","","90","","1195.6","0.5","170","2","170","2","","","","","","","","4","P 41","P 4w","76","","5-Hydroxymethyl-7,7,N-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","TR3030","Foces-Foces, C.; López-Rodríguez, M.; Pérez, C.","A case of concomitant polymorphism and spontaneous resolution: the tetragonal phase of 5-hydroxymethyl-7,7,<i>N</i>-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide","Acta Crystallographica Section C","2008","64","2","o95","o97","10.1107/S010827010706862X","","","0.71073","MoKα","","0.0576","0.0504","","","0.1374","0.1423","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016471","12.46443","0.00001","11.02991","0.00007","21.60929","0.00004","90","","90","","90","","2970.88","0.02","110","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","","- C13 H18 N4 O3 S -","- C13 H18 N4 O3 S -","- C104 H144 N32 O24 S8 -","8","1","TR3035","Lutz, Martin; Spek, Anthony L.; Geer, Erwin P. L. van der; Koten, Gerard van; Klein Gebbink, Robertus J. M.","Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","Acta Crystallographica Section C","2008","64","2","o87","o90","10.1107/S0108270108000668","","","0.71073","MoKα","","0.0381","0.0195","","","","0.0107","","","","","","2.0292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016472","8.6631","0.0017","10.144","0.002","10.569","0.002","79.73","0.03","78.02","0.03","87.08","0.03","893.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","{μ-N,N'-Bis[2-(dimethylamino)ethyl]oxamidato(2-)-\ κ^6^N,N',O':N'',N''',O}bis[(2,2'-bipyridine-κ^2^N,N')copper(II)] bis(perchlorate)","","- C30 H36 Cl2 Cu2 N8 O10 -","- C30 H36 Cl2 Cu2 N8 O10 -","- C30 H36 Cl2 Cu2 N8 O10 -","1","0.5","AV3130","Sun, Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Zhang, Shu-Fang; Yin, Zhi-Wei","{μ-<i>N</i>,<i>N</i>'-Bis[2-(dimethylamino)ethyl]oxamidato(2‒)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>':<i>N</i>'',<i>N</i>''',<i>O</i>}bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(perchlorate)","Acta Crystallographica Section C","2008","64","3","m108","m110","10.1107/S0108270107067558","","","0.71073","MoKα","","0.0442","0.0379","","","0.1045","0.1097","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016473","14.817","0.008","13.701","0.008","22.224","0.013","90","","108.807","0.011","90","","4271","4","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[(E)-(4-hydroxy-3-methoxyphenyl)methylene]amino}- N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3- carboxamide","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C192 H192 N16 O24 S8 -","8","2","AV3133","Vasu; Nirmala, K. A.; Chopra, Deepak; Lakshman, M. D.; Saravanan, J.","2-[(<i>E</i>)-(4-Hydroxy-3-methoxybenzylidene)amino]-<i>N</i>-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section C","2008","64","3","o184","o186","10.1107/S0108270108001133","","","0.71073","MoKα","","0.0908","0.0528","","","0.1211","0.1335","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016474","7.2486","0.0014","8.3234","0.0015","17.731","0.003","103.419","0.012","94.044","0.009","97.017","0.013","1027.3","0.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","Cyclopentadecanone 2,4-dinitrophenylhydrazone","","- C21 H32 N4 O4 -","- C21 H32 N4 O4 -","- C42 H64 N8 O8 -","2","1","AV3135","Noe, Eric A.; Pawar, Diwakar M.; Fronczek, Frank R.","Cyclopentadecanone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2008","64","3","o139","o141","10.1107/S0108270108002898","","","0.71073","MoKα","","0.091","0.051","","","0.092","0.104","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016475","11.536","0.001","6.7868","0.0007","8.3073","0.0009","90","","90","","90","","650.4","0.11","298","","298","","101","","101","","","","","4","P c a 21","P 2c -2ac","29","","Poly[μ-2-aminopyrazine-κ^2^N^1^:N^4^-μ-cyanido-copper(I)]","","- C5 H5 Cu N4 -","- C5 H5 Cu N4 -","- C20 H20 Cu4 N16 -","4","1","FA3122","Pagola, Silvina; Pike, Robert D.; deKrafft, Kathryn; Tronic, Tristan A.","Poly[μ-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^-μ-cyanido-copper(I)]: a three-dimensional network from laboratory powder diffraction data","Acta Crystallographica Section C","2008","64","3","m134","m136","10.1107/S010827010800231X","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0834","1.72","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016476","7.3076","0.0002","11.1899","0.0005","13.9875","0.0006","74.652","0.002","84.472","0.002","73.641","0.002","1058.04","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(2,6-Diacetylpyridine bis{[2-(hydroxyimino)propanoyl]hydrazone}(2-)]nickel(II) dimethyl sulfoxide solvate monohydrate","","- C17 H25 N7 Ni O6 S -","- C17 H25 N7 Ni O6 S -","- C34 H50 N14 Ni2 O12 S2 -","2","1","FA3126","Plutenko, Maxym V.; Moroz, Yurii S.; Sliva, Tetyana Yu.; Haukka, Matti; Fritsky, Igor O.","A square-planar Ni^II^ complex with an asymmetric coordination of a novel polynucleative 2,6-diacetylpyridine bis{[2-(hydroxyimino)propanoyl]hydrazone} ligand","Acta Crystallographica Section C","2008","64","3","m137","m139","10.1107/S0108270108003065","","","0.71073","MoKα","","0.0849","0.0507","","","0.0955","0.109","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016477","3.832","0.0017","21.4002","0.0012","7.8301","0.0014","90","","108.339","0.01","90","","609.5","0.3","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-Dinitro-2,2'-dithiodipyridine","","- C10 H6 N4 O4 S2 -","- C10 H6 N4 O4 S2 -","- C20 H12 N8 O8 S4 -","2","0.5","FA3134","Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías","3,3'-Dinitro-2,2'-dithiodipyridine","Acta Crystallographica Section C","2008","64","3","o117","o118","10.1107/S0108270108001716","","","0.71073","MoKα","","","0.0501","","","","0.1001","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016478","6.6449","0.0003","8.7262","0.0003","9.4092","0.0002","76.39","0.003","81.079","0.002","82.654","0.004","521.48","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-[6-amino-3-methyl-2-(methylsulfanyl)-4-oxo-3,4-dihydropyrimidin- 5-ylcarbonyl]acetonitrile","","- C9 H10 N4 O2 S -","- C9 H10 N4 O2 S -","- C18 H20 N8 O4 S2 -","2","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.054","0.0385","","","0.0956","0.1067","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016479","22.488","0.003","5.0709","0.0005","18.6139","0.0017","90","","116.956","0.007","90","","1892","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5- ylcarbonyl)acetonitrile","","- C9 H10 N4 O3 -","- C9 H10 N4 O3 -","- C72 H80 N32 O24 -","8","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.0733","0.0482","","","0.1168","0.1363","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016480","17.106","0.003","11.8218","0.0013","13.7187","0.0019","90","","127.836","0.008","90","","2191","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-cyano-<i>N</i>-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]acetamide","","- C9 H10 N4 O2 S -","- C9 H10 N4 O2 S -","- C72 H80 N32 O16 S8 -","8","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.0519","0.0401","","","0.1006","0.1111","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016481","12.8655","0.0007","8.439","0.0002","9.9327","0.0015","90","","108.827","0.013","90","","1020.71","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-cyano-<i>N</i>-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]acetamide","","- C8 H7 Cl N4 O S -","- C8 H7 Cl N4 O S -","- C32 H28 Cl4 N16 O4 S4 -","4","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.0925","0.0606","","","0.1476","0.175","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016482","9.3145","0.0008","12.3555","0.001","20.828","0.0017","105.475","0.002","96.33","0.003","93.276","0.002","2286.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Rosiglitazone maleate 0.25-hydrate","(±)-5-(4-{2-[methyl(2-pyridyl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione maleate 0.25-hydrate","","- C22 H47 N3 O7.25 S -","- C22 H23.5 N3 O7.25 S -","- C88 H94 N12 O29 S4 -","4","2","GD3164","Cuffini, Silvia L.; Faudone, Sonia; Ferro, Maribel; Garland, María Teresa; Baggio, Ricardo","Rosiglitazone maleate 0.25-hydrate: a pseudopolymorphic form","Acta Crystallographica Section C","2008","64","3","o119","o122","10.1107/S0108270107054443","","","0.71073","MoKα","","0.1302","0.0625","","","0.1318","0.1538","","","","","","0.951","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2016483","31.177","0.003","6.1229","0.0005","14.3335","0.0012","90","","113.771","0.002","90","","2504","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Phenylformamide","N-Phenylformamide","","- C7 H7 N O -","- C7 H7 N O -","- C112 H112 N16 O16 -","16","2","GD3183","Omondi, Bernard; Fernandes, Manuel A.; Layh, Marcus; Levendis, Demetrius C.","Cocrystal of <i>cis</i>- and <i>trans</i>-<i>N</i>-phenylformamide","Acta Crystallographica Section C","2008","64","3","o137","o138","10.1107/S0108270108002746","","","0.71073","MoKα","","0.0628","0.0396","","","0.0967","0.1099","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016484","6.8915","0.0003","7.2887","0.0002","30.8009","0.0008","90","","90","","90","","1547.13","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen 4,5-dichlorophthalate","8-hydroxyquinolinium 2-carboxy-4,5-dichlorobenzoate","","- C17 H11 Cl2 N O5 -","- C17 H11 Cl2 N O5 -","- C68 H44 Cl8 N4 O20 -","4","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","1.54184","CuKα","","0.0363","0.0357","","","0.0981","0.0985","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016485","7.2003","0.0006","7.3039","0.0006","29.438","0.003","90","","90","","90","","1548.2","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8-aminoquinolinium hydrogen 4,5-dichlorophthalate","8-aminoquinolinium 2-carboxy-4,5-dichlorobenzoate","","- C17 H12 Cl2 N2 O4 -","- C17 H12 Cl2 N2 O4 -","- C68 H48 Cl8 N8 O16 -","4","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","0.71073","MoKα","","0.0301","0.029","","","0.0726","0.0732","","","","","","1.075","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016486","7.1893","0.0009","10.1172","0.0013","19.52","0.003","87.558","0.002","88.577","0.002","83.996","0.002","1410.4","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","2-carboxyquinolinium hydrogen 4,5-dichlorophthalate quinaldic acid monohydrate","2-carboxyquinolinium 2-carboxy-4,5-dichlorobenzoate quinolinium 2-carboxylate monohydrate","","- C28 H20 Cl2 N2 O9 -","- C28 H20 Cl2 N2 O9 -","- C56 H40 Cl4 N4 O18 -","2","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","0.71073","MoKα","","0.0668","0.0587","","","0.1538","0.16","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016487","5.404","0.0002","10.7114","0.0004","16.5003","0.0005","90","","94.079","0.003","90","","952.69","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-bis(benzimidazol-1-ylmethyl)benzene dihydrate","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C44 H44 N8 O4 -","2","0.5","GD3187","Wu, Chuan-Mei; Liang, Bing","Assembly of a two-dimensional layer structure with 1,4-bis(1<i>H</i>-benzimidazol-1-ylmethyl)benzene dihydrate <i>via</i> hydrogen bonds and π‒π interactions","Acta Crystallographica Section C","2008","64","3","o142","o144","10.1107/S0108270108002175","","","0.71073","MoKα","","0.0685","0.0431","","","0.113","0.1199","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016488","13.505","0.002","5.38","0.001","14.111","0.003","90","","95.05","0.02","90","","1021.3","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(Diaminomethylene)thiourea","","- C2 H6 N4 S -","- C2 H6 N4 S -","- C16 H48 N32 S8 -","8","1","GD3190","Janczak, Jan; Perpétuo, Genivaldo Júlio","1-(Diaminomethylene)thiourea: a tautomer of 2-imino-4-thiobiuret","Acta Crystallographica Section C","2008","64","3","o114","o116","10.1107/S0108270108001868","","","0.71073","MoKα","","0.0283","0.0223","","","0.0484","0.0506","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016489","35.798","0.007","7.319","0.001","21.459","0.004","90","","118.96","0.03","90","","4919","2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile","","- C14 H10 N6 -","- C14 H10 N6 -","- C224 H160 N96 -","16","2","GD3192","Janczak, Jan","Wave-like structure in 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile","Acta Crystallographica Section C","2008","64","3","o159","o161","10.1107/S0108270108003831","","","0.71073","MoKα","","0.0839","0.045","","","0.0543","0.0714","","","","","","1.038","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016490","4.7547","0.0001","7.5121","0.0002","8.5626","0.0002","115.691","0.001","90.266","0.001","104.957","0.001","263.87","0.011","105","2","105","2","","","","","","","","4","P 1","P 1","1","","L-Seryl-L-asparagine monohydrate","","- C7 H15 N3 O6 -","- C7 H15 N3 O6 -","- C7 H15 N3 O6 -","1","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0254","0.0253","","","0.0668","0.0669","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016491","15.348","0.0009","17.8805","0.0011","4.7728","0.0003","90","","90","","90","","1309.8","0.14","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-Seryl-L-tyrosine monohydrate","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C48 H72 N8 O24 -","4","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0521","0.0379","","","0.088","0.1016","","","","","","1.136","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016492","6.5613","0.0005","9.1474","0.0007","12.5052","0.0009","90","","101.973","0.001","90","","734.22","0.1","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Tryptophanyl-L-serine monohydrate","","- C14 H19 N3 O5 -","- C14 H19 N3 O5 -","- C28 H38 N6 O10 -","2","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0449","0.0363","","","0.0844","0.0908","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016493","5.7309","0.0003","8.196","0.0004","19.0952","0.0009","90","","91.694","0.001","90","","896.52","0.08","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-tyrosyl-L-tryptophane monohydrate","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C40 H46 N6 O10 -","2","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0346","0.0306","","","0.0772","0.0798","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016494","15.5576","0.0011","10.1598","0.0007","12.5487","0.0009","90","","90","","90","","1983.5","0.2","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(acetylacetonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')zinc(II)","","- C22 H22 N2 O4 Zn -","- C22 H22 N2 O4 Zn -","- C88 H88 N8 O16 Zn4 -","4","0.5","GG3140","Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine","Acta Crystallographica Section C","2008","64","3","m140","m143","10.1107/S0108270108003818","","","0.71073","MoKα","","0.0351","0.0302","","","0.0762","0.0795","","","","","","1.087","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016495","8.1594","0.0003","15.3466","0.0006","15.5582","0.0006","90","","90","","90","","1948.18","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(acetylacetonato-κ^2^O,O')(2,2'-bipyridine-κ^2^N,N')zinc(II)","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","GG3140","Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine","Acta Crystallographica Section C","2008","64","3","m140","m143","10.1107/S0108270108003818","","","0.71073","MoKα","","0.024","0.0224","","","0.0517","0.0525","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016496","17.873","0.002","7.9729","0.001","13.3054","0.0016","90","","98.198","0.002","90","","1876.6","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(phenylazo)anilinium hydrogen 3-nitrophthalate","4-(phenyldiazenyl)anilinium 2-carboxy-6-nitrobenzoate","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C80 H64 N16 O24 -","4","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.0458","0.0392","","","0.0966","0.1001","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016497","12.95","0.003","7.5571","0.0018","19.364","0.005","90","","100.371","0.005","90","","1864.1","0.8","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","4-phenylazoanilinium hydrogen 4-nitrophthalate","4-(phenyldiazenyl)anilinium 2-carboxy-4-nitrobenzoate","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C80 H64 N16 O24 -","4","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.0545","0.0459","","","0.0923","0.0961","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016498","14.0965","0.0015","6.7602","0.0007","43.091","0.005","90","","90","","90","","4106.4","0.8","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(phenylazo)anilinium hydrogen 5-nitroisophthalate monohydrate","4-(phenyldiazenyl)anilinium 3-carboxy-5-nitrobenzoate monohydrate","","- C20 H18 N4 O7 -","- C20 H18 N4 O7 -","- C160 H144 N32 O56 -","8","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.106","0.0846","","","0.204","0.2109","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016499","10.5578","0.0009","11.1532","0.0007","9.1833","0.0007","106.707","0.002","95.809","0.001","124.367","0.005","806.04","0.12","295","2","295","","","","","","","","Synthetic","4","P -1","-P 1","2","","Disodium hexamanganese(II,III) germanate","","- Ge6 Mn5.26 Na2.74 O20 -","- Ge6 Mn5.26 Na2.74 O20 -","- Ge12 Mn10.52 Na5.48 O40 -","2","1","IZ3033","Redhammer, Günther J.; Roth, Georg; Topa, Dan; Amthauer, Georg","Synthetic aenigmatite analog Na~2~(Mn~5.26~Na~0.74~)Ge~6~O~20~: structure and crystal chemical considerations","Acta Crystallographica Section C","2008","64","3","i21","i26","10.1107/S0108270107068011","","","0.71073","MoKα","","","0.0423","","","","0.0821","","","","","","0.953","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016500","8.9779","0.0001","11.4442","0.0002","15.0673","0.0003","90","","90","","90","","1548.09","0.04","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","calcium pentamolybdenum titanium decaoxide","","- Ca Mo5.38 O10 Ti0.62 -","- Ca Mo5.382 O10 Ti0.618 -","- Ca8 Mo43.056 O80 Ti4.944 -","8","1","IZ3044","Gougeon, P.; Gall, P.","The disordered cluster compound CaMo~5~(Mo~0.38~Ti~0.62~)O~10~","Acta Crystallographica Section C","2008","64","3","i30","i32","10.1107/S0108270108002989","","","0.71069","MoKα","","0.0675","0.0354","","","0.0496","0.0568","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016501","8.076","0.003","15.482","0.005","15.636","0.005","60.751","0.006","84.929","0.006","83.967","0.006","1694.8","1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","13-<i>cis</i>-β,β-Carotene","13-<i>cis</i>-β,β-Carotene","","- C40 H56 -","- C40 H56 -","- C80 H112 -","2","1","JZ3117","Bartalucci, Giuditta; Delroy, Charles; Fisher, Stuart; Helliwell, Madeleine; Liaaen-Jensen, Synnøve","13-<i>cis</i>-β,β-Carotene and 15-<i>cis</i>-β,β-carotene","Acta Crystallographica Section C","2008","64","3","o128","o131","10.1107/S0108270108001583","","","0.71073","MoKα","","0.1046","0.0494","","","0.1027","0.1134","","","","","","0.832","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016502","17.6168","0.0013","11.5544","0.0009","17.4124","0.0013","90","","108.084","0.001","90","","3369.2","0.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","15-<i>cis</i>-β,β-carotene","15-<i>cis</i>-β,β-carotene","","- C40 H56 -","- C40 H56 -","- C160 H224 -","4","0.5","JZ3117","Bartalucci, Giuditta; Delroy, Charles; Fisher, Stuart; Helliwell, Madeleine; Liaaen-Jensen, Synnøve","13-<i>cis</i>-β,β-Carotene and 15-<i>cis</i>-β,β-carotene","Acta Crystallographica Section C","2008","64","3","o128","o131","10.1107/S0108270108001583","","","0.71073","MoKα","","0.0452","0.0394","","","0.1078","0.1113","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016503","13.6578","0.0014","14.764","0.0006","18.53","0.0011","68.701","0.003","86.357","0.006","86.228","0.005","3470.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","syn-Tri-μ-chlorido-bis{[(R,R)/(S,S)-2,2'-bis(diphenylphosphino)-1,1'- biphenyl]hydridoiridium(III)} tetrafluoridoborate dichloromethane disolvate","","- C74 H62 B Cl7 F4 Ir2 P4 -","- C74 H62 B Cl7 F4 Ir2 P4 -","- C148 H124 B2 Cl14 F8 Ir4 P8 -","2","1","JZ3123","Dahlenburg, Lutz; Heinemann, Frank W.; Kramer, Dagmar; Menzel, Ralf","<i>syn</i>-Tri-μ-chlorido-bis{[(<i>R</i>,<i>R</i>)/(<i>S</i>,<i>S</i>)-2,2'-bis(diphenylphosphino)-1,1'-biphenyl]hydridoiridium(III)} tetrafluoridoborate dichloromethane disolvate","Acta Crystallographica Section C","2008","64","3","m144","m146","10.1107/S0108270108004198","","","0.71073","MoKα","","0.0426","0.0257","","","0.0471","0.0521","","","","","","1.027","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016504","6.9715","0.0002","10.5549","0.0003","24.8914","0.0008","79.614","0.002","88.741","0.002","72.225","0.002","1714.51","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","cis-1,2-Dimethyl-cyclobutane-1,2-diol","<i>cis</i>-1,2-dimethylcyclobutane-1,2-diol","","- C6 H12 O2 -","- C6 H12 O2 -","- C60 H120 O20 -","10","5","LN3079","Allscher, Thorsten; Betz, Richard; Herdlicka, Sonja; Klüfers, Peter","The complex packing pattern of <i>cis</i>-1,2-dimethylcyclobutane-1,2-diol","Acta Crystallographica Section C","2008","64","3","o111","o113","10.1107/S010827010800053X","","","0.71073","MoKα","","0.0974","0.0505","","","0.1172","0.1389","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016505","8.6049","0.0008","12.6787","0.0007","15.5042","0.0014","90","","117.9","0.006","90","","1494.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Methyl-N-phenylaminomethyl 2-naphthyl ketone","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","LN3084","Karabıyık, Hasan; Keskin, Sevnur; Aygün, Muhittin; Arsu, Nergis; Büyükgüngör, Orhan","<i>N</i>-Methyl-<i>N</i>-phenylaminomethyl 2-naphthyl ketone: an X-ray diffraction and density functional theory study","Acta Crystallographica Section C","2008","64","3","o155","o158","10.1107/S0108270108003466","","","0.71073","MoKα","","0.1095","0.054","","","0.1127","0.1328","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016506","6.302","0.0006","9.0437","0.0008","9.3822","0.0009","109.196","0.001","94.937","0.001","104.076","0.001","481.72","0.08","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","3,4,6-Trichloro-5-cyano-2-hydroxybenzamide","","- C8 H3 Cl3 N2 O2 -","- C8 H3 Cl3 N2 O2 -","- C16 H6 Cl6 N4 O4 -","2","1","LN3085","Britton, Doyle","3,4,6-Trichloro-5-cyano-2-hydroxybenzamide","Acta Crystallographica Section C","2008","64","3","o109","o110","10.1107/S0108270108001017","","","0.71073","MoKα","","0.023","0.022","","","0.061","0.063","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016507","8.3051","0.0002","12.6449","0.0003","28.0176","0.0012","90","","97.766","0.002","90","","2915.34","0.16","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichloridobis(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)zinc(II)","","- C32 H12 Cl2 N12 Zn -","- C32 H12 Cl2 N12 Zn -","- C128 H48 Cl8 N48 Zn4 -","4","0.5","LN3086","Kozlov, Leonid; Goldberg, Israel","Supramolecular interaction patterns in the zinc(II) dichloride and tin(IV) tetrachloride complexes with dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile","Acta Crystallographica Section C","2008","64","3","m123","m126","10.1107/S010827010800303X","","","0.71073","MoKα","","0.0921","0.062","","","0.1573","0.1727","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016508","14.863","0.0004","12.8457","0.0003","9.8852","0.0002","90","","90","","90","","1887.34","0.08","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tetrachlorido(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)tin(IV)","","- C16 H6 Cl4 N6 Sn -","- C16 H6 Cl4 N6 Sn -","- C64 H24 Cl16 N24 Sn4 -","4","0.5","LN3086","Kozlov, Leonid; Goldberg, Israel","Supramolecular interaction patterns in the zinc(II) dichloride and tin(IV) tetrachloride complexes with dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile","Acta Crystallographica Section C","2008","64","3","m123","m126","10.1107/S010827010800303X","","","0.71073","MoKα","","0.056","0.0378","","","0.0818","0.0892","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016509","18.6511","0.0007","9.2969","0.0003","20.7606","0.0009","90","","110.102","0.0013","90","","3380.5","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-tetrakis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)porphyrin nitrobenzene clathrate","","- C76 H76 B4 N6 O12 -","- C76 H76 B4 N6 O12 -","- C152 H152 B8 N12 O24 -","2","0.5","SF3072","Muniappan, Sankar; Lipstman, Sophia; Goldberg, Israel","Borylated porphyrins: 5,10,15,20-tetrakis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)porphyrin nitrobenzene disolvate","Acta Crystallographica Section C","2008","64","3","o177","o179","10.1107/S010827010800468X","","","0.71073","MoKα","","0.1488","0.0635","","","0.1419","0.1789","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016510","9.225","0.002","9.143","0.002","14.504","0.003","90.73","0.03","100.01","0.03","92.84","0.03","1202.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","tetrahydrated calcium bromide complex of dihydroxyacetone","bis(μ-dihydroxyacetone)bis[tetraaquacalcium(II)] tetrabromide","","- C6 H28 Br4 Ca2 O14 -","- C6 H28 Br4 Ca2 O14 -","- C12 H56 Br8 Ca4 O28 -","2","1","SK3189","Ślepokura, Katarzyna; Lis, Tadeusz","Dihydroxyacetone (DHA) monomer complexes with CaBr~2~ and CdCl~2~","Acta Crystallographica Section C","2008","64","3","m127","m133","10.1107/S0108270108002527","","","0.71073","MoKα","","0.034","0.0262","","","0.0543","0.0566","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016511","11.17","0.003","17.119","0.003","14.225","0.003","90","","95.42","0.03","90","","2707.9","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trihydrated (cadmium chloride)4 complex of (dihydroxyacetone)3","poly[{bis(μ-dihydroxyacetone)bis[bis(dihydroxyacetone)cadmium(II)} [diaquatetradeca-μ-chlorido-dichloridohexacadmium(II)] tetrahydrate]","","- C18 H48 Cd8 Cl16 O24 -","- C18 H48 Cd8 Cl16 O24 -","- C36 H96 Cd16 Cl32 O48 -","2","0.5","SK3189","Ślepokura, Katarzyna; Lis, Tadeusz","Dihydroxyacetone (DHA) monomer complexes with CaBr~2~ and CdCl~2~","Acta Crystallographica Section C","2008","64","3","m127","m133","10.1107/S0108270108002527","","","0.71073","MoKα","","0.056","0.0294","","","0.0334","0.0359","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016512","12.4096","0.0004","13.0039","0.0004","13.4669","0.0004","92.764","0.001","107.367","0.001","91.878","0.001","2069.18","0.11","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^N,N')cobalt(III) tris(trifluoromethanesulfonate) dihydrate","","- C39 H28 Co F9 N6 O11 S3 -","- C39 H28 Co F9 N6 O11 S3 -","- C78 H56 Co2 F18 N12 O22 S6 -","2","1","SK3194","Hanauer, Matthias; Neshat, Abdollah; Bigioni, Terry P.","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(trifluoromethanesulfonate) dihydrate","Acta Crystallographica Section C","2008","64","3","m111","m113","10.1107/S0108270108001972","","","0.71073","MoKα","","0.0459","0.0404","","","0.1046","0.1074","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016513","10.9194","0.0004","18.0256","0.0007","27.1635","0.0011","90","","96.865","0.001","90","","5308.2","0.4","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-ylmethyl]-6-(3,5-dimethyl-1H-pyrazol- 1-ylmethyl)pyridine}methylpalladium(II) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C50 H30 B F30 N5 Pd -","- C50 H30 B F29.997 N5 Pd -","- C200 H120 B4 F119.988 N20 Pd4 -","4","1","SK3199","Guzei, Ilia A.; Spencer, Lara C.; Ojwach, Stephen O.; Darkwa, James","Positional disorder manifested as compositional in a pseudo-<i>C</i>~2~-symmetrical Pd complex","Acta Crystallographica Section C","2008","64","3","m114","m116","10.1107/S0108270108002503","","","0.71073","Mo-Kα","","0.0659","0.0584","","","0.1478","0.1544","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016514","8.557","0.0015","9.893","0.002","9.9739","0.0018","87.534","0.013","77.251","0.015","67.431","0.014","759.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl (E)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate","","- C14 H20 N6 O2 -","- C14 H20 N6 O2 -","- C28 H40 N12 O4 -","2","1","SK3200","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Hydrogen-bonded ribbons in ethyl (<i>E</i>)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate and 2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile","Acta Crystallographica Section C","2008","64","3","o145","o148","10.1107/S0108270108003132","","","0.71073","MoKα","","0.1692","0.069","","","0.1667","0.2356","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016515","9.696","0.0008","14.752","0.003","15.418","0.003","116.332","0.013","96.794","0.01","93.587","0.009","1946.1","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile","","- C18 H23 N7 -","- C18 H23 N7 -","- C72 H92 N28 -","4","2","SK3200","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Hydrogen-bonded ribbons in ethyl (<i>E</i>)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate and 2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile","Acta Crystallographica Section C","2008","64","3","o145","o148","10.1107/S0108270108003132","","","0.71073","MoKα","","0.1307","0.0646","","","0.1813","0.2063","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016516","8.933","0.003","10.014","0.003","22.059","0.007","79.769","0.004","89.938","0.004","63.533","0.004","1731.5","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","(2-phenylethenylsulfonylmethyl)phosphonate","","- C15 H23 O5 P S -","- C15 H23 O5 P S -","- C60 H92 O20 P4 S4 -","4","2","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0439","0.0407","","","0.1019","0.1037","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016517","9.8656","0.0003","15.1481","0.0005","15.9024","0.0005","86.929","0.003","89.893","0.003","72.267","0.003","2260.11","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","diisopropyl {[2-(7-methoxy-1,3-benzodioxol-5- yl)ethenylsulfonyl]methylsulfonylmethyl}phosphonate","","- C18 H27 O10 P S2 -","- C18 H27 O10 P S2 -","- C72 H108 O40 P4 S8 -","4","2","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0415","0.0342","","","0.0888","0.092","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016518","10.1632","0.0007","23.6753","0.0016","34.339","0.002","90","","90","","90","","8262.5","0.9","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(trans-2-phenylethenyl) sulfone","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C384 H336 O48 S24 -","24","3","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0954","0.0507","","","0.1188","0.1353","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016519","15.7551","0.0006","11.9609","0.0005","8.6212","0.0003","90","","103.728","0.001","90","","1578.21","0.11","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(trans-2-phenylethenylsulfonyl)methane","","- C17 H16 O4 S2 -","- C17 H16 O4 S2 -","- C68 H64 O16 S8 -","4","0.5","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0376","0.0317","","","0.0869","0.0925","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016520","8.2209","0.0011","16.552","0.003","18.423","0.003","90","","97.775","0.019","90","","2483.8","0.7","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dispiro[indene-2,5'-indeno[2,1-a]fluorene-6',2''-indene]- 1,1'',3,3'',11',12'-hexaone","","- C36 H16 O6 -","- C36 H16 O6 -","- C144 H64 O24 -","4","1","SK3204","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Dispiro[indene-2,5'-indeno[2,1-<i>a</i>]fluorene-6',2''-indene]-1,1'',3,3'',11',12'-hexaone: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2008","64","3","o162","o165","10.1107/S010827010800396X","","","0.71073","MoKα","","0.0645","0.0454","","","0.0944","0.1035","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016521","10.948","0.002","13.548","0.003","15.828","0.003","108.96","0.03","94.57","0.03","110.33","0.03","2032.3","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","μ~2~-Acetato-κ^2^O:O'-tris(μ~2~-ferrocenecarboxylato-κ^2^O:O')bis[(N,N-\ dimethylformamide-κO)copper(II)]","","- C41 H44 Cu2 Fe3 N2 O10 -","- C41 H44 Cu2 Fe3 N2 O10 -","- C82 H88 Cu4 Fe6 N4 O20 -","2","1","SQ3093","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Wang, Jin-Gen","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-tris(μ~2~-ferrocenecarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2008","64","3","m121","m122","10.1107/S0108270107044952","","","0.71073","MoKα","","0.0869","0.0596","","","0.1618","0.1839","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016522","11.0513","0.0009","10.2765","0.0006","8.7052","0.0006","90","","90","","90","","988.64","0.12","301","2","301","2","","","","","","","","4","P m c 21","P 2c -2","26","","Dirubidium divanadyl phyllo-octasilicate","","- O21 Rb2 Si8 V2 -","- O21 Rb2 Si8 V2 -","- O42 Rb4 Si16 V4 -","2","0.5","SQ3119","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","The diphyllosilicate Rb~2~(VO)~2~[Si~8~O~19~]","Acta Crystallographica Section C","2008","64","3","i27","i29","10.1107/S0108270107068205","","","0.71073","MoKα","","0.0395","0.0326","","","0.0619","0.0652","","","","","","1.101","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016523","6.9047","0.0004","12.5332","0.0009","21.8652","0.0018","90","","90","","90","","1892.2","0.2","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-poly[[(4,4'-bi-1,2,4-triazole-κN^1^)bis(thiocyanato-κN)copper(II)]- μ-4,4'-bi-1,2,4-triazole-κ^2^N^1^:N^1'^ dihydrate]","","- C10 H12 Cu N14 O2 S2 -","- C10 H12 Cu N14 O2 S2 -","- C40 H48 Cu4 N56 O8 S8 -","4","1","SQ3120","Govor, Evgeniy V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.; Rusanov, Eduard B.; Chernega, Alexander N.","Copper(II) and cadmium(II) isothiocyanate coordination polymers with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","3","m117","m120","10.1107/S0108270108001479","","","0.71073","MoKα","","0.0251","0.0219","","","0.0508","0.0515","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016524","7.092","0.001","10.4867","0.0018","13.836","0.002","87.44","0.018","81.158","0.016","82.847","0.011","1008.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[bis(μ-thiocyanato-κ^2^N:S)tetrakis(thiocyanato-κN)tetrakis(μ-4,4'- bi-1,2,4-triazole-κ^2^N^1^:N^1'^)tricadmium(II)]","","- C22 H16 Cd3 N30 S6 -","- C22 H16 Cd3 N30 S6 -","- C22 H16 Cd3 N30 S6 -","1","0.5","SQ3120","Govor, Evgeniy V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.; Rusanov, Eduard B.; Chernega, Alexander N.","Copper(II) and cadmium(II) isothiocyanate coordination polymers with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","3","m117","m120","10.1107/S0108270108001479","","","0.71073","MoKα","","0.0474","0.0295","","","0.0684","0.0743","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016525","7.6156","0.0008","11.553","0.0009","11.814","0.0011","90","","96.258","0.002","90","","1033.24","0.17","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[diaquabis[μ~2~-2-(4-pyridinio)propane-1,3-dionato-κ^2^O:O']cobalt(II)] dinitrate]","","- C16 H18 Co N4 O12 -","- C16 H18 Co N4 O12 -","- C32 H36 Co2 N8 O24 -","2","0.5","SU3015","Domasevitch, Konstantin V.","Poly[[diaquabis[μ~2~-2-(4-pyridinio)propane-1,3-dionato-κ^2^<i>O</i>:<i>O</i>']cobalt(II)] dinitrate]","Acta Crystallographica Section C","2008","64","3","m105","m107","10.1107/S0108270108001054","","","0.71073","MoKα","","0.0463","0.0393","","","0.1051","0.1087","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016526","14.5376","0.0016","6.6329","0.0006","9.8343","0.0009","90","","105.922","0.005","90","","911.91","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-gabapentin","1-(ammoniomethyl)cycloheaxaneacetate","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","TR3031","Reece, Hayley A.; Levendis, Demetrius C.","Polymorphs of gabapentin","Acta Crystallographica Section C","2008","64","3","o105","o108","10.1107/S0108270107066279","","","0.71073","MoKα","","0.106","0.0462","","","0.0862","0.1005","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016527","30.5452","0.0011","5.9268","0.0002","10.8841","0.0004","90","","108.316","0.002","90","","1870.58","0.12","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","γ-gabapentin","1-(ammoniomethyl)cycloheaxaneacetate","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C72 H136 N8 O16 -","8","1","TR3031","Reece, Hayley A.; Levendis, Demetrius C.","Polymorphs of gabapentin","Acta Crystallographica Section C","2008","64","3","o105","o108","10.1107/S0108270107066279","","","0.71073","MoKα","","0.0599","0.0461","","","0.1149","0.1246","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016528","7.1475","0.0018","27.999","0.007","9.387","0.002","90","","93.026","0.005","90","","1875.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3,3',3'-Tetraethyl-1,1'-(propane-1,3-diyldicarbonyl)bis(thiourea)","","- C15 H28 N4 O2 S2 -","- C15 H28 N4 O2 S2 -","- C60 H112 N16 O8 S8 -","4","1","TR3036","Stockmann, Susanne; Bruce, Jocelyn; Miller, Jorn; Koch, Klaus R.","Bipodal 1,1'-acyl-3,3,3',3'-tetraalkylbis(thiourea) ligands with flexible C~3~, C~4~ and C~6~ spacer groups","Acta Crystallographica Section C","2008","64","3","o166","o170","10.1107/S0108270108002783","","","0.71073","MoKα","","0.072","0.0525","","","0.1199","0.1293","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016529","4.8287","0.0009","6.3977","0.0012","15.661","0.003","85.532","0.003","86.985","0.003","81.894","0.003","477.09","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3,3',3'-tetraethyl-1,1'-(butane-1,4-diyldicarbonyl)bis(thiourea)","","- C16 H30 N4 O2 S2 -","- C16 H30 N4 O2 S2 -","- C16 H30 N4 O2 S2 -","1","0.5","TR3036","Stockmann, Susanne; Bruce, Jocelyn; Miller, Jorn; Koch, Klaus R.","Bipodal 1,1'-acyl-3,3,3',3'-tetraalkylbis(thiourea) ligands with flexible C~3~, C~4~ and C~6~ spacer groups","Acta Crystallographica Section C","2008","64","3","o166","o170","10.1107/S0108270108002783","","","0.71073","MoKα","","0.0709","0.0622","","","0.1501","0.1556","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016530","9.3206","0.0015","10.6717","0.0017","15.537","0.002","105.164","0.003","97.767","0.003","92.111","0.003","1473.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3,3',3'-tetrabutyl-1,1'-(hexane-1,6‒diyldicarbonyl)bis(thiourea),","","- C26 H50 N4 O2 S2 -","- C26 H50 N4 O2 S2 -","- C52 H100 N8 O4 S4 -","2","1","TR3036","Stockmann, Susanne; Bruce, Jocelyn; Miller, Jorn; Koch, Klaus R.","Bipodal 1,1'-acyl-3,3,3',3'-tetraalkylbis(thiourea) ligands with flexible C~3~, C~4~ and C~6~ spacer groups","Acta Crystallographica Section C","2008","64","3","o166","o170","10.1107/S0108270108002783","","","0.71073","MoKα","","0.0873","0.0526","","","0.0764","0.0849","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016531","6.04","0.005","8.262","0.006","17.256","0.013","91.999","0.01","97.831","0.01","96.185","0.01","847","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diacetonitrile-1κN,3κN-bis{μ-trans-N-[3-(dimethylamino)propyl]-N'- (2-hydroxyethyl)oxamidato(2-)}-1:2κ^5^N,N',O:O',N'';2:3κ^5^O',N'':N,N',O- dithiocyanato-1κN,3κN-tricopper(II)","","- C24 H40 Cu3 N10 O6 S2 -","- C24 H40 Cu3 N10 O6 S2 -","- C24 H40 Cu3 N10 O6 S2 -","1","0.5","AV3136","Liu, Jin-Liang; Yan, Cui-Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Zhang, Wan-Ju","Diacetonitrile-1κ<i>N</i>,3κ<i>N</i>-bis{μ-<i>trans</i>-<i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>'-(2-hydroxyethyl)oxamidato(2‒)}-1:2κ^5^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>',<i>N</i>'';2:3κ^5^O',<i>N</i>'':<i>N</i>,<i>N</i>',<i>O</i>-dithiocyanato-1κ<i>N</i>,3κ<i>N</i>-tricopper(II)","Acta Crystallographica Section C","2008","64","4","m149","m152","10.1107/S0108270108003296","","","0.71073","MoKα","","0.118","0.0625","","","0.1574","0.1751","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016532","8.3984","0.0002","14.0857","0.0003","14.5004","0.0003","90","","106.667","0.002","90","","1643.29","0.06","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(1,10-phenanthroline)(DMSO)copper(II) dibromide","Dibromido(dimethyl sulfoxide-κO)(1,10-phenanthroline-κ^2^N,N')copper(II)","","- C14 H14 Br2 Cu N2 O S -","- C14 H14 Br2 Cu N2 O S -","- C56 H56 Br8 Cu4 N8 O4 S4 -","4","1","AV3138","Oh, Myeong-Jin; Kim, Hee-Jin; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Dibromido(dimethyl sulfoxide-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2008","64","4","m153","m155","10.1107/S0108270108005003","","","0.71073","MoKα","","0.0805","0.0378","","","0.0929","0.127","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016533","9.8804","0.0008","6.654","0.0007","18.3908","0.0012","90","","90","","90","","1209.09","0.18","213","2","213","2","","","","","","","","4","C m c m","-C 2c 2","63","","1,4,5,8-Tetramethylpyridazino[4,5-<i>d</i>]pyridazine trihydrate","","- C10 H18 N4 O3 -","- C10 H18 N4 O3 -","- C40 H72 N16 O12 -","4","0.25","BM3049","Zhylenko, Iryna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Hydrate frameworks involving the pyridazino[4,5-<i>d</i>]pyridazine unit as a multiple hydrogen-bond acceptor","Acta Crystallographica Section C","2008","64","4","o237","o241","10.1107/S0108270108007117","","","0.71073","MoKα","","0.0427","0.0398","","","0.1071","0.1092","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016534","6.6745","0.0014","20.028","0.004","5.486","0.0011","90","","106.352","0.003","90","","703.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline tetrahydrate","","- C12 H20 N4 O4 -","- C12 H20 N4 O4 -","- C24 H40 N8 O8 -","2","0.5","BM3049","Zhylenko, Iryna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Hydrate frameworks involving the pyridazino[4,5-<i>d</i>]pyridazine unit as a multiple hydrogen-bond acceptor","Acta Crystallographica Section C","2008","64","4","o237","o241","10.1107/S0108270108007117","","","0.71073","MoKα","","0.0824","0.0487","","","0.1248","0.1392","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016535","6.0445","0.0001","12.1149","0.0002","28.9321","0.0004","90","","90","","90","","2118.65","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-(1<i>H</i>-indazol-1-yl)androsta-5,16-dien-3β-ol","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C104 H128 N8 O4 -","4","1","DN3083","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","1<i>H</i>-Indazole and 2<i>H</i>-indazole derivatives of androsta-5,16-dien-3β-ol","Acta Crystallographica Section C","2008","64","4","o217","o219","10.1107/S0108270108005842","","","0.71073","MoKα","","0.0629","0.0402","","","0.1088","0.1391","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016536","5.9234","0.0002","13.0938","0.0004","13.6623","0.0004","90","","91.5347","0.0016","90","","1059.27","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-(2<i>H</i>-indazol-2-yl)androsta-5,16-dien-3β-ol","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C52 H64 N4 O2 -","2","1","DN3083","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","1<i>H</i>-Indazole and 2<i>H</i>-indazole derivatives of androsta-5,16-dien-3β-ol","Acta Crystallographica Section C","2008","64","4","o217","o219","10.1107/S0108270108005842","","","0.71073","MoKα","","0.0507","0.0382","","","0.1044","0.1201","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016537","5.4656","0.0012","13.66","0.002","10.6755","0.0019","90","","99.182","0.016","90","","786.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4-dimethylbenzoic acid","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","FA3135","Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz","Conformation of hydrogen-bonded dimeric <i>o</i>-methyl-substituted benzoic acids","Acta Crystallographica Section C","2008","64","4","o208","o210","10.1107/S0108270108005799","","","0.71073","MoKα","","0.0633","0.0378","","","0.0956","0.1058","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016538","14.417","0.003","6.9224","0.0012","18.508","0.004","90","","106.334","0.006","90","","1772.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(4-cyano-5-dicyanomethylene-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl]- N-phenylacetamide","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","FG3054","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. II. Effects of donor strength in two push‒pull molecules","Acta Crystallographica Section C","2008","64","4","o195","o198","10.1107/S0108270108005593","","","0.71073","MoKα","","0.1603","0.0605","","","0.1061","0.1318","","","","","","0.828","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016539","11.3193","0.0003","8.8981","0.0003","16.9338","0.0005","90","","101.298","0.002","90","","1672.53","0.09","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{3-cyano-5,5-dimethyl-4-[2-(piperidin-1-yl)vinyl]-2,5-dihydrofuran-2- ylidene}malononitrile 0.376-hydrate","","- C17 H18.75 N4 O1.376 -","- C17 H18.752 N4 O1.376 -","- C68 H75.008 N16 O5.504 -","4","1","FG3054","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. II. Effects of donor strength in two push‒pull molecules","Acta Crystallographica Section C","2008","64","4","o195","o198","10.1107/S0108270108005593","","","0.71073","MoKα","","0.0654","0.0422","","","0.1019","0.118","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016540","10.344","0.003","19.804","0.006","7.489","0.002","90","","102.95","0.01","90","","1495.1","0.7","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodobenzofurazan 1-oxide","5-iodobenzo-1,2,5-oxadiazole 1-oxide","","- C6 H3 I N2 O2 -","- C6 H3 I N2 O2 -","- C48 H24 I8 N16 O16 -","8","2","GD3185","Britton, Doyle; Noland, Wayland E.; Clark, Christopher M.","5-Iodobenzofurazan 1-oxide: polymorphs, pseudosymmetry and disorder","Acta Crystallographica Section C","2008","64","4","o187","o190","10.1107/S0108270108003776","","","0.71073","MoKα","","0.085","0.049","","","0.077","0.087","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016541","14.392","0.004","7.64","0.002","15.284","0.004","90","","116.39","0.01","90","","1505.4","0.7","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodobenzofurazan 1-oxide","5-iodobenzo-1,2,5-oxadiazole 1-oxide","","- C6 H3 I N2 O2 -","- C6 H3 I N2 O2 -","- C48 H24 I8 N16 O16 -","8","2","GD3185","Britton, Doyle; Noland, Wayland E.; Clark, Christopher M.","5-Iodobenzofurazan 1-oxide: polymorphs, pseudosymmetry and disorder","Acta Crystallographica Section C","2008","64","4","o187","o190","10.1107/S0108270108003776","","","0.71073","MoKα","","0.0401","0.031","","","0.062","0.065","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016542","6.9841","0.0002","13.0977","0.0004","28.3695","0.0008","90","","90","","90","","2595.12","0.13","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","2,6-dimethoxy-7,9-dimethylpurinium iodide hemihydrate","","- C9 H14 I N4 O2.5 -","- C9 H14 I N4 O2.5 -","- C72 H112 I8 N32 O20 -","8","","GD3189","Kowalska, Alicja; Pluta, Krystian; Suwińska, Kinga","2,6-Dimethoxy-7,9-dimethylpurinium iodide hemihydrate","Acta Crystallographica Section C","2008","64","4","o211","o213","10.1107/S0108270108005957","","","0.71073","MoKα","","0.047","0.041","","","0.08","0.082","","","","","","1.19","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016543","6.2143","0.0002","15.3978","0.0005","20.713","0.0007","90","","93.729","0.003","90","","1977.76","0.11","290","2","290","2","","","","","","","","3","C 1 c 1","C -2yc","9","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl] phenol","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","1","GD3195","Rozycka-Sokolowska, Ewa","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol: a three-dimensional framework built from O—H···O hydrogen bonds","Acta Crystallographica Section C","2008","64","4","o242","o244","10.1107/S0108270108006045","","","0.71073","MoKα","","0.0618","0.0326","","","0.0644","0.0815","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016544","6.1137","0.0016","11.6779","0.0014","41.33","0.005","90","","90","","90","","2950.8","0.9","296","1","296","1","101","2","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,16-diacetyl pseudosolasodine B","(25R)-22,26-epiminocholesta-5,22(<i>N</i>)-diene-3β,16β-diyl diacetate","","- C31 H47 N O4 -","- C31 H47 N O4 -","- C124 H188 N4 O16 -","4","1","GD3197","Vega-Baez, José Luis; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Montiel-Smith, Sara; Gómez-Calvario, Victor; Bernès, Sylvain","Accurate stereochemistry for two related 22,26-epiminocholestene derivatives","Acta Crystallographica Section C","2008","64","4","o214","o216","10.1107/S0108270108005763","","","0.71073","MoKα","","0.0877","0.0517","","","0.1256","0.1538","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016545","10.026","0.002","7.4403","0.0014","35.508","0.006","90","","95.512","0.018","90","","2636.5","0.9","296","1","296","1","101","2","","","","","","4","C 1 2 1","C 2y","5","16-hydroxy-oblonginine 3-acetate","(22S,25R)-16β-hydroxy-22,26-epiminocholesta-5-ene-3β-yl acetate","","- C29 H47 N O3 -","- C29 H47 N O3 -","- C116 H188 N4 O12 -","4","1","GD3197","Vega-Baez, José Luis; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Montiel-Smith, Sara; Gómez-Calvario, Victor; Bernès, Sylvain","Accurate stereochemistry for two related 22,26-epiminocholestene derivatives","Acta Crystallographica Section C","2008","64","4","o214","o216","10.1107/S0108270108005763","","","0.71073","MoKα","","0.0559","0.049","","","0.1292","0.1348","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016546","5.8209","0.0009","8.5101","0.0011","16.648","0.003","90","","96.66","0.013","90","","819.1","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-carboxyanilinium bromide","","- C7 H8 Br N O2 -","- C7 H8 Br N O2 -","- C28 H32 Br4 N4 O8 -","4","1","GD3202","Cinčić, Dominik; Kaitner, Branko","Hydrogen bonding in the bromide salts of 4-aminobenzoic acid and 4-aminoacetophenone","Acta Crystallographica Section C","2008","64","4","o226","o229","10.1107/S0108270108006471","","","0.71073","MoKα","","0.0351","0.0302","","","0.0887","0.0928","","","","","","1.163","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016547","7.4423","0.0008","15.4529","0.001","7.6833","0.0014","90","","90.828","0.008","90","","883.5","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-acetylanilinium bromide","","- C8 H10 Br N O -","- C8 H10 Br N O -","- C32 H40 Br4 N4 O4 -","4","1","GD3202","Cinčić, Dominik; Kaitner, Branko","Hydrogen bonding in the bromide salts of 4-aminobenzoic acid and 4-aminoacetophenone","Acta Crystallographica Section C","2008","64","4","o226","o229","10.1107/S0108270108006471","","","0.71073","MoKα","","0.0472","0.0391","","","0.1106","0.1265","","","","","","1.232","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016548","12.1198","0.0018","12.5461","0.0019","12.4089","0.0019","90","","114.896","0.002","90","","1711.5","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dihydroxybicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C16 H18 O10 -","- C16 H18 O10 -","- C64 H72 O40 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0459","0.0381","","","0.0967","0.1035","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016549","9.3037","0.0006","10.2495","0.0007","10.6378","0.0007","95.155","0.001","103.114","0.001","109.208","0.001","917.9","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dihydroxy-1,5-dimethylbicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0385","0.0353","","","0.0915","0.0946","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016550","13.4118","0.0004","8.3693","0.0003","17.4894","0.0006","90","","111.049","0.001","90","","1832.15","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dimethoxybicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C18 H22 O10 -","- C18 H22 O10 -","- C72 H88 O40 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0368","0.0348","","","0.093","0.0951","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016551","11.6352","0.0004","13.3095","0.0004","13.2262","0.0004","90","","96.369","0.001","90","","2035.55","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dimethoxy-1,5-dimethylbicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.046","0.0396","","","0.106","0.1124","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016552","10.0095","0.0005","20.9263","0.0012","10.1881","0.0006","90","","90.507","0.001","90","","2133.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-diacetoxybicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C20 H22 O12 -","- C20 H22 O12 -","- C80 H88 O48 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0807","0.0496","","","0.1223","0.1458","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016553","8.9122","0.0006","11.9051","0.0007","10.4111","0.0004","90","","105.649","0.003","90","","1063.68","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-3-methyl-2-(morpholin-4-yl)-5-nitrosopyrimidin-4(3H)-one","","- C9 H13 N5 O3 -","- C9 H13 N5 O3 -","- C36 H52 N20 O12 -","4","1","GG3151","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines","Acta Crystallographica Section C","2008","64","4","o220","o225","10.1107/S0108270108005076","","","0.71073","MoKα","","0.1084","0.0544","","","0.1247","0.1591","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016554","9.441","0.0011","16.347","0.004","18.799","0.005","90","","90.045","0.015","90","","2901.3","1.1","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","morpholin-4-ium 4-amino-2-(morpholin-4-yl)-5-nitroso-6-oxo-1,6-dihydropyrimidin-1-ide","","- C12 H20 N6 O4 -","- C12 H20 N6 O4 -","- C96 H160 N48 O32 -","8","1","GG3151","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines","Acta Crystallographica Section C","2008","64","4","o220","o225","10.1107/S0108270108005076","","","0.71073","MoKα","","0.082","0.0486","","","0.0948","0.1087","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016555","16.421","0.002","7.3671","0.0012","17.205","0.004","90","","104.794","0.012","90","","2012.4","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidin-4(3H)-one hemihydrate","","- C8 H12 N5 O3.5 -","- C8 H12 N5 O3.5 -","- C64 H96 N40 O28 -","8","2","GG3151","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines","Acta Crystallographica Section C","2008","64","4","o220","o225","10.1107/S0108270108005076","","","0.71073","MoKα","","0.1374","0.0578","","","0.1253","0.1623","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016556","5.9271","0.0017","16.398","0.005","17.864","0.005","90","","98.468","0.004","90","","1717.3","0.9","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-(4-chlorophenyl)-1-[(4-chlorophenylanilino)methyl]-1,3,5-triazinane-2-thione","","- C32 H32 Cl4 N8 S2 -","- C32 H32 Cl4 N8 S2 -","- C64 H64 Cl8 N16 S4 -","2","1","HJ3065","Zhang, Zhenfeng; Xian, Dong; Li, Jianping; Zhang, Guisheng","Hydrogen-bonded chains of rings in 1-(4-chloroanilinomethyl)-5-(4-chlorophenyl)-1,3,5-triazinane-2-thione and hydrogen-bonded sheets in 1-anilinomethyl-5-phenyl-1,3,5-triazinane-2-thione","Acta Crystallographica Section C","2008","64","4","o191","o194","10.1107/S0108270108002096","","","0.71073","MoKα","","0.1016","0.0614","","","0.1396","0.1651","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016557","5.8564","0.0008","15.486","0.002","17.285","0.002","90","","92.66","0.002","90","","1565.9","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(anilinomethyl)-5-phenyl-1,3,5-triazinane-2-thione","","- C16 H18 N4 S -","- C16 H18 N4 S -","- C64 H72 N16 S4 -","4","1","HJ3065","Zhang, Zhenfeng; Xian, Dong; Li, Jianping; Zhang, Guisheng","Hydrogen-bonded chains of rings in 1-(4-chloroanilinomethyl)-5-(4-chlorophenyl)-1,3,5-triazinane-2-thione and hydrogen-bonded sheets in 1-anilinomethyl-5-phenyl-1,3,5-triazinane-2-thione","Acta Crystallographica Section C","2008","64","4","o191","o194","10.1107/S0108270108002096","","","0.71073","MoKα","","0.0533","0.0356","","","0.0839","0.0936","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016558","9.9821","0.0011","9.9821","0.0011","9.9821","0.0011","90","","90","","90","","994.64","0.19","298","2","298","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Hexacopper(I) phosphorus(V) bromide penta(selenide/sulfide)","","- Br Cu6.1 P S1.632 Se3.368 -","- Br Cu6.0996 P S1.6316 Se3.3684 -","- Br4 Cu24.3984 P4 S6.5264 Se13.4736 -","4","0.0416667","IZ3043","Gagor, A.; Pietraszko, A.; Panko, V. V.","Hexacopper(I) phosphorus(V) bromide penta(selenide/sulfide), Cu~6~P(Se~0.7~S~0.3~)~5~Br","Acta Crystallographica Section C","2008","64","4","i33","i34","10.1107/S0108270108005167","","","0.71069","MoKα","","0.0277","0.0256","","","0.0403","0.0417","","","","","","1.44","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016559","7.352","0.004","20.734","0.011","7.78","0.004","90","","90","","90","","1186","1.1","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dipotassium tris{[(sulfitomercurato(II)] oxonium}","dipotassium μ~3~-oxido-tris[sulfitomercury(II)]","","- Hg3 K2 O10 S3 -","- Hg3 K2 O10 S3 -","- Hg12 K8 O40 S12 -","4","0.5","IZ3045","Weil, Matthias; Baumann, Stefan; Breitinger, Dietrich K.","K~2~[O(HgSO~3~)~3~], a new sulfitomercurate with an [OHg~3~] core","Acta Crystallographica Section C","2008","64","4","i35","i37","10.1107/S0108270108005179","","","0.71073","MoKα","","0.0262","0.0228","","","0.0535","0.0547","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016560","18.53","0.004","13.409","0.002","19.792","0.003","90","","92.969","0.007","90","","4911.1","1.5","173","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1,3-bis(2-hydroxybenzylidene)-2-methyl-2-(2- oxidobenzylideneaminomethyl)propane-1,3-diamine]nickel(II) [2-(2-hydroxybenzylideneaminomethyl)-2-methyl-1,3-bis(2- oxidobenzylidene)propane-1,3-diamine]nickel(II) chloride methanol disolvate","","- C54 H59 Cl N6 Ni2 O8 -","- C54 H59 Cl N6 Ni2 O8 -","- C216 H236 Cl4 N24 Ni8 O32 -","4","0.5","JZ3116","Yamaguchi, Tomoka; Sunatsuki, Yukinari; Ishida, Hiroyuki","Mononuclear nickel(II) and zinc(II) complexes with deprotonated forms of the tripodal hexadentate ligand 1,3-bis(2-hydroxybenzylidene)-2-(2-hydroxybenzylideneaminomethyl)-2-methylpropane-1,3-diamine","Acta Crystallographica Section C","2008","64","4","m156","m160","10.1107/S0108270108004289","","","0.71075","MoKα","","0.0505","0.0442","","","0.1415","0.1456","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016561","13.626","0.005","19.383","0.006","21.522","0.007","90","","106.27","0.007","90","","5457","3","103","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,3-bis(2-hydroxybenzylidene)-2-methyl-2-(2- oxidobenzylideneaminomethyl)propane-1,3-diamine]zinc(II) perchlorate [2-(2-hydroxybenzylideneaminomethyl)-2-methyl-1,3-bis(2- oxidobenzylidene)propane-1,3-diamine]zinc(II)methanol trisolvate","","- C55 H63 Cl N6 O13 Zn2 -","- C55 H63 Cl N6 O13 Zn2 -","- C220 H252 Cl4 N24 O52 Zn8 -","4","1","JZ3116","Yamaguchi, Tomoka; Sunatsuki, Yukinari; Ishida, Hiroyuki","Mononuclear nickel(II) and zinc(II) complexes with deprotonated forms of the tripodal hexadentate ligand 1,3-bis(2-hydroxybenzylidene)-2-(2-hydroxybenzylideneaminomethyl)-2-methylpropane-1,3-diamine","Acta Crystallographica Section C","2008","64","4","m156","m160","10.1107/S0108270108004289","","","0.71075","MoKα","","0.0563","0.0371","","","0.0987","0.1243","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016562","13.718","0.003","15.433","0.003","20.526","0.004","90","","108.83","0.03","90","","4113","1.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-(<i>E</i>)-2-[(2-pyridylamino)(2- pyridylimino)methyl]benzato}bis[acetatozinc(II)] tetrahydrate","","- C40 H40 N8 O12 Zn2 -","- C40 H40 N8 O12 Zn2 -","- C160 H160 N32 O48 Zn8 -","4","0.5","LN3090","Zhu, Li-Na; Gao, Shan; Huo, Li-Hua","Bis{μ-(<i>E</i>)-2-[(2-pyridylamino)(2-pyridylimino)methyl]benzato}bis[acetatozinc(II)] tetrahydrate","Acta Crystallographica Section C","2008","64","4","m182","m184","10.1107/S0108270108007166","","","0.71073","MoKα","","0.0331","0.0286","","","0.0732","0.0754","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016563","7.3779","0.0005","11.157","0.0009","12.583","0.0009","71.081","0.002","81.596","0.002","70.529","0.002","922.94","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","phenanthroline)-1κ^2^N,N';3κ^2^N,N'-di-μ-hydroxido-1:2κ^2^O:O,2:3κ^2^O:O-\ tricopper(II) dinitrate dihydrate","","- C32 H36 Cu3 N6 O16 -","- C32 H36 Cu3 N6 O16 -","- C32 H36 Cu3 N6 O16 -","1","0.5","SF3070","Chen, Fang; Lu, Wei-Min; Zhu, Yue","A mixed bridged trinuclear copper(II)‒1,10-phenanthroline complex with a linear structure","Acta Crystallographica Section C","2008","64","4","m167","m169","10.1107/S0108270108005349","","","0.71069","MoKα","","0.0484","0.0375","","","0.1127","0.1198","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016564","8.0601","0.0008","9.2246","0.0009","16.4286","0.0015","92.344","0.007","96.656","0.008","103.097","0.008","1178.8","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","(Dicyanamido-κN')bis(1,10-phenanthroline-κ^2^N,N')copper(II) tetrafluoridoborate","","- C26 H16 B Cu F4 N7 -","- C26 H16 B Cu F4 N7 -","- C52 H32 B2 Cu2 F8 N14 -","2","1","SF3073","Potočňák, Ivan; Špilovský, Martin; Trávníček, Zdeněk","Low-dimensional compounds containing cyano groups. XVI. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrafluoridoborate","Acta Crystallographica Section C","2008","64","4","m161","m163","10.1107/S0108270108005970","","","0.71073","MoKα","","0.048","0.0405","","","0.1113","0.1192","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016565","16.8649","0.0008","16.5864","0.0009","7.4838","0.0004","90","","90","","90","","2093.43","0.19","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]","","- C7 H10 Ag N3 O3 -","- C7 H10 Ag N3 O3 -","- C56 H80 Ag8 N24 O24 -","8","1","SK3191","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]: a powder study","Acta Crystallographica Section C","2008","64","4","m170","m172","10.1107/S0108270108005143","","","1.5406","CuKα1","","0.0252","0.0251","","","0.0164","0.0164","","","1.27","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016566","8.34","0.003","8.863","0.003","12.565","0.004","90","","99.575","0.005","90","","915.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquabis(μ~2~-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-\ 4-carboxylato)copper(II)] dihydrate]","","- C10 H20 Cu O16 P2 -","- C10 H20 Cu O16 P2 -","- C20 H40 Cu2 O32 P4 -","2","0.5","SK3205","Guo, Ming-Lin; Zang, Hong-Jun","Poly[[diaquabis(μ~2~-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxylato)copper(II)] dihydrate]","Acta Crystallographica Section C","2008","64","4","m173","m175","10.1107/S0108270108005428","","","0.71073","MoKα","","0.03","0.0265","","","0.0716","0.0745","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016567","9.7056","0.0019","8.6794","0.0017","17.89","0.004","90","","90","","90","","1507","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","δ-Sulfanilamide","4-aminobenzenesulfonamide","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","SK3211","Gelbrich, Thomas; Bingham, Ann L.; Threlfall, Terence L.; Hursthouse, Michael B.","δ-Sulfanilamide","Acta Crystallographica Section C","2008","64","4","o205","o207","10.1107/S0108270108005696","","","0.71073","MoKα","","0.0666","0.0415","","","0.097","0.106","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016568","8.5336","0.0018","11.063","0.003","13.426","0.003","73.722","0.018","72.389","0.016","85.93","0.02","1159.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","ethyl 2-methoxy-6-[(triphenylphosphoranylidene)amino]nicotinate","","- C27 H25 N2 O3 P -","- C27 H25 N2 O3 P -","- C54 H50 N4 O6 P2 -","2","1","SK3213","Cobo, Justo; Glidewell, Christopher; Low, John N.; Orozco, Fabían","Ethyl 2-methoxy-6-[(triphenylphosphoranylidene)amino]nicotinate and ethyl 2-methylsulfanyl-6-[(triphenylphosphoranylidene)amino]nicotinate","Acta Crystallographica Section C","2008","64","4","o233","o236","10.1107/S0108270108006963","","","0.71073","MoKα","","0.0954","0.0545","","","0.1034","0.1205","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016569","8.5671","0.0014","11.0617","0.0006","13.547","0.002","102.987","0.008","106.417","0.012","94.596","0.01","1185.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-methylsulfanyl-6-[(triphenylphosphoranylidene)amino]nicotinate","","- C27 H25 N2 O2 P S -","- C27 H25 N2 O2 P S -","- C54 H50 N4 O4 P2 S2 -","2","1","SK3213","Cobo, Justo; Glidewell, Christopher; Low, John N.; Orozco, Fabían","Ethyl 2-methoxy-6-[(triphenylphosphoranylidene)amino]nicotinate and ethyl 2-methylsulfanyl-6-[(triphenylphosphoranylidene)amino]nicotinate","Acta Crystallographica Section C","2008","64","4","o233","o236","10.1107/S0108270108006963","","","0.71073","MoKα","","0.0533","0.0374","","","0.0881","0.0983","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016570","16.1215","0.0014","5.763","0.0003","14.3795","0.0013","90","","90.592","0.007","90","","1335.9","0.18","293","2","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","tribarium dilithium divanadate tetrachloride","","- Ba3 Cl4 Li2 O7 V2 -","- Ba3 Cl4 Li2 O7 V2 -","- Ba12 Cl16 Li8 O28 V8 -","4","0.5","SQ3118","Reeswinkel, Thomas; Sparta, Karine M.; Roth, Georg","Ba~3~Li~2~V~2~O~7~Cl~4~, a new vanadate with a channel structure","Acta Crystallographica Section C","2008","64","4","i38","i40","10.1107/S0108270108002801","","","0.71073","MoKα","","","0.024","","","","0.0346","","","","","","1.614","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016571","8.999","0.0007","12.7766","0.0007","14.0652","0.0008","92.661","0.002","102.77","0.002","97.389","0.002","1559.38","0.17","123.1","","","","","","","","","","","6","P -1","-P 1","2","","(N-{[4-(1,3-Benzothiazol-2-yl)anilino]carbonylmethyl-κO}iminodiacetato- κ^3^O,N,O')(1,10-phenanthroline-κ^2^N,N')cobalt(II) pentahydrate","","- C31 H33 Co N5 O10 S -","- C31 H33 Co N5 O10 S -","- C62 H66 Co2 N10 O20 S2 -","2","1","SQ3122","Lin, Guo-Wu; Wang, Yue; Lu, Tao","(<i>N</i>-{[4-(1,3-Benzothiazol-2-yl)anilino]carbonylmethyl-κ<i>O</i>}iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) pentahydrate","Acta Crystallographica Section C","2008","64","4","m179","m181","10.1107/S0108270108006306","","","0.71075","MoKα","","","0.0409","","","","0.1175","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016572","6.978","0.002","7.2034","0.0002","20.145","0.001","83.97","0.002","89.286","0.003","83.597","0.002","1000.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Hexaquacobalt(II) bis(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromene-6-sulfonate) tetrahydrate","","- C32 H42 Co O24 S2 -","- C32 H42 Co O24 S2 -","- C32 H42 Co O24 S2 -","1","0.5","SQ3126","Li, Wu-Wu; Zhang, Zun-Ting","Hexaquacobalt(II) bis(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4<i>H</i>-chromene-6-sulfonate) tetrahydrate","Acta Crystallographica Section C","2008","64","4","m176","m178","10.1107/S0108270108006975","","","0.71073","MoKα","","0.0444","0.0371","","","0.1222","0.1312","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016573","16.02","0.003","7.4892","0.0015","9.1211","0.0018","90","","113.23","0.03","90","","1005.6","0.4","263","2","263","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","catena-Poly[[(acetato-κ^2^O,O')triaquabarium(II)]- μ~3~-acetato-κ^4^O:O,O':O']","","- C4 H12 Ba O7 -","- C4 H12 Ba O7 -","- C16 H48 Ba4 O28 -","4","0.5","SQ3131","Freire, Eleonora; Baggio, Ricardo","<i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')triaquabarium(II)]-μ~3~-acetato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']","Acta Crystallographica Section C","2008","64","4","m164","m166","10.1107/S0108270108006057","","","0.71073","MoKα","","0.0354","0.0324","","","0.0833","0.0847","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016574","11.5658","0.0004","8.0116","0.0003","12.2308","0.0004","90","","93.453","0.002","90","","1131.26","0.07","296.1","","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1-Pyridinio)perfluorophenacylide","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","SQ3132","Yamada, Shinji; Ohta, Emiko","(1-Pyridinio)perfluorophenacylide: a new stable pyridinium ylide in the enol form","Acta Crystallographica Section C","2008","64","4","o230","o232","10.1107/S0108270108006318","","","1.54187","CuKα","","0.0372","0.0339","","","0.0984","0.104","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016575","7.9484","0.0007","13.6135","0.0011","9.5596","0.0008","90","","93.026","0.003","90","","1032.96","0.15","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","","{η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7- trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2- yloxy}benzene}tricarbonylchromium","","- C22 H26 Cr O6 -","- C22 H26 Cr O6 -","- C44 H52 Cr2 O12 -","2","1","TR3032","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, Nathalie M.; Pinkerton, A. Alan","1,5-Asymmetric induction during nucleophilic additions to arenetricarbonylchromium complexes: tricarbonyl(η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2-yloxy}benzene)chromium","Acta Crystallographica Section C","2008","64","4","m147","m148","10.1107/S0108270108004666","","","0.71073","MoKα","","0.045","0.0404","","","0.0886","0.0899","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016576","6.2701","0.0012","6.4816","0.0012","19.616","0.004","95.807","0.003","93.091","0.003","93.76","0.003","789.9","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","Hexaaquanickel(II) bis[2-carboxylato-2-(isothiouronium-<i>S</i>-ylmethyl)propane-1,3-diyl phosphate] hexahydrate","","- C12 H44 N4 Ni O24 P2 S2 -","- C12 H44 N4 Ni O24 P2 S2 -","- C12 H44 N4 Ni O24 P2 S2 -","1","0.5","AV3143","Guo, Ming-Lin; Wang, Feng-Qin; Zang, Hong-Jun","Hexaaquanickel(II) bis[2-carboxylato-2-(isothiouronium-<i>S</i>-ylmethyl)propane-1,3-diyl phosphate] hexahydrate","Acta Crystallographica Section C","2008","64","5","m198","m200","10.1107/S0108270108007956","","","0.71073","MoKα","","0.0366","0.0318","","","0.0814","0.0842","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016577","14.0939","0.0002","6.952","0.0006","8.6661","0.0007","90","","99.226","0.003","90","","838.13","0.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediamine","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","0.5","AV3145","Zhang, Min; Meng, Xiang-Gao; Hu, Zong-Qiu; Xu, Xing-Man","A two-dimensional layer in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediamine and a three-dimensional network in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)","Acta Crystallographica Section C","2008","64","5","o272","o275","10.1107/S0108270108008937","","","0.71073","Mokα","","0.0602","0.0493","","","0.1362","0.1432","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016578","12.8926","0.0012","5.8332","0.0006","15.1397","0.0015","90","","106.779","0.002","90","","1090.11","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)","","- C18 H26 Cl2 N2 O10 -","- C18 H26 Cl2 N2 O10 -","- C36 H52 Cl4 N4 O20 -","2","0.5","AV3145","Zhang, Min; Meng, Xiang-Gao; Hu, Zong-Qiu; Xu, Xing-Man","A two-dimensional layer in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediamine and a three-dimensional network in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)","Acta Crystallographica Section C","2008","64","5","o272","o275","10.1107/S0108270108008937","","","0.71073","Mokα","","0.0683","0.0602","","","0.1588","0.1638","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016579","17.536","0.005","8.016","0.002","22.814","0.008","90","","90","","90","","3206.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato- κ^2^N,O]bis(methanol-κO)nickel(II)","","- C34 H34 N4 Ni O6 -","- C34 H34 N4 Ni O6 -","- C136 H136 N16 Ni4 O24 -","4","0.5","BM3048","Xue, Mei-Xiang; Liu, Shi-Xiong","Bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(methanol-κ<i>O</i>)nickel(II) and bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2008","64","5","m190","m193","10.1107/S0108270108006240","","","0.71073","MoKα","","0.051","0.0354","","","0.0933","0.1019","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016580","7.699","0.006","9.814","0.005","12.412","0.007","78.02","0.02","82.59","0.03","79","0.03","896.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato- κ^2^N,O]bis(pyridine-κN)nickel(II)","","- C42 H36 N6 Ni O4 -","- C42 H36 N6 Ni O4 -","- C42 H36 N6 Ni O4 -","1","0.5","BM3048","Xue, Mei-Xiang; Liu, Shi-Xiong","Bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(methanol-κ<i>O</i>)nickel(II) and bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2008","64","5","m190","m193","10.1107/S0108270108006240","","","0.71073","MoKα","","0.0549","0.0422","","","0.0954","0.1","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016581","10.4399","0.0011","12.0367","0.0013","16.62","0.0018","95.979","0.002","93.739","0.002","115.549","0.002","1859.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-bis(1,3-dimethylimidazolin-2-ylideneamino)pyridinium perchlorate","","- C15 H24 Cl N7 O4 -","- C15 H24 Cl N7 O4 -","- C60 H96 Cl4 N28 O16 -","4","2","EM3010","Neuba, Adam; Akin, Enver; Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald","Rare examples of base pairing <i>via</i> a protonated pyridine N atom in two salts of <i>N</i>^2^,<i>N</i>^6^-bis(1,3-dimethylimidazolin-2-ylidene)pyridine-2,6-diamine","Acta Crystallographica Section C","2008","64","5","m194","m197","10.1107/S0108270108007567","","","0.71073","MoKα","","0.1625","0.0644","","","0.121","0.1472","","","","","","0.828","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016582","10.5673","0.0008","10.9286","0.0008","18.3329","0.0014","90","","99.438","0.002","90","","2088.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{2,6-bis[(1,3-dimethylimidazolin-2-ylidene)amino]pyridinium} μ-oxido-bis[trichloridoiron(III)]","","- C30 H48 Cl6 Fe2 N14 O -","- C30 H48 Cl6 Fe2 N14 O -","- C60 H96 Cl12 Fe4 N28 O2 -","2","0.5","EM3010","Neuba, Adam; Akin, Enver; Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald","Rare examples of base pairing <i>via</i> a protonated pyridine N atom in two salts of <i>N</i>^2^,<i>N</i>^6^-bis(1,3-dimethylimidazolin-2-ylidene)pyridine-2,6-diamine","Acta Crystallographica Section C","2008","64","5","m194","m197","10.1107/S0108270108007567","","","0.71073","MoKα","","0.058","0.0445","","","0.1071","0.1131","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016583","12.25","0.002","12.25","0.002","12.25","0.002","90","","90","","90","","1838.3","0.5","298","2","298","2","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium diiron(III) triarsenate","","- As3 Fe2 Na3 O12 -","- As3 Fe2 Na3 O12 -","- As24 Fe16 Na24 O96 -","8","0.0833333","FA3138","Ouerfelli, Najoua; Guesmi, Abderrahmen; Mazza, Daniele; Zid, Mohamed Faouzi; Driss, Ahmed","L'arséniate Na~3~Fe~2~(AsO~4~)~3~: étude structurale de la forme basse température et simulation des propriétés de conduction des cations alcalins","Acta Crystallographica Section C","2008","64","5","i41","i44","10.1107/S0108270108009050","","","0.71073","MoKα","","0.0297","0.0288","","","0.0763","0.0766","","","","","","1.36","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:06",""
"2016584","41.064","0.003","9.359","0.0007","23.785","0.002","90","","107.625","0.002","90","","8711.9","1.2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Zn(tpen)](ClO4)2 2/3H2O","[N,N,N',N'-tetrakis(2-pyridylmethyl)ethane-1,2-diamine-κ^6^N]zinc(II) diperchlorate 0.67-hydrate","","- C78 H88 Cl6 N18 O26 Zn3 -","- C26 H29.3333 Cl2 N6 O8.66667 Zn -","- C312 H352 Cl24 N72 O104 Zn12 -","12","1.5","GA3084","Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans","Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands","Acta Crystallographica Section C","2008","64","5","m185","m189","10.1107/S0108270108007014","","","0.71073","MoKα","","","0.037","","","","0.038","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016585","13.231","0.002","15.147","0.002","15.167","0.002","90","","94.634","0.003","90","","3029.7","0.7","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Zn(qtpen)](ClO4)2","[N,N,N'-tris(2-pyridylmethyl)-N'-(2-quinolmethyl)ethane-1,2-diamine-κ^6^N]- diperchlorate","","- C30 H30 Cl2 N6 O8 Zn -","- C30 H30 Cl2 N6 O8 Zn -","- C120 H120 Cl8 N24 O32 Zn4 -","4","1","GA3084","Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans","Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands","Acta Crystallographica Section C","2008","64","5","m185","m189","10.1107/S0108270108007014","","","0.71073","MoKα","","","0.03","","","","0.035","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016586","11.891","0.003","12.022","0.003","23.838","0.005","90","","90","","90","","3407.7","1.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Zn(bqbpen)](ClO4)2.H2O","[N,N'-bis(2-pyridylmethyl)-N,N'-bis(2-quinolmethyl)ethane-1,2-diamine-κ^6^N]- zinc(II) diperchlorate monohydrate","","- C34 H34 Cl2 N6 O9 Zn -","- C34 H34 Cl2 N6 O9 Zn -","- C136 H136 Cl8 N24 O36 Zn4 -","4","1","GA3084","Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans","Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands","Acta Crystallographica Section C","2008","64","5","m185","m189","10.1107/S0108270108007014","","","0.71073","MoKα","","","0.033","","","","0.038","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016587","21.834","0.006","12.948","0.004","23.502","0.01","90","","97.039","0.004","90","","6594","4","297","1","297","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","κ^2^N^3^:N^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1H-benzimidazol-2-yl)ethene-κ^2^N^3^:N^3'^] bis(perchlorate) acetonitrile disolvate]","","- C32 H33 Cl Cu N7 O4 -","- C32 H33 Cl Cu N7 O4.006 -","- C256 H264 Cl8 Cu8 N56 O32.048 -","8","1","GZ3116","Stibrany, Robert T.; Potenza, Joseph A.","An alternating copolymer containing trigonal planar homocoordinated copper(I) ions: <i>catena</i>-poly[[[bis[μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(perchlorate) acetonitrile disolvate]","Acta Crystallographica Section C","2008","64","5","m213","m216","10.1107/S0108270108002618","","","0.71073","MoKα","","0.0426","0.0329","","","0.0906","0.0964","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016588","3.8011","0.0008","6.7639","0.0014","13.364","0.003","90","","96.82","0.03","90","","341.16","0.13","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1195","0.0456","","","0.1","0.1337","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016589","3.7938","0.0003","6.7564","0.0006","13.3672","0.0015","90","","96.639","0.003","90","","340.34","0.06","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1151","0.0521","","","0.1089","0.1392","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016590","3.788","0.0003","6.7482","0.0006","13.3755","0.0014","90","","96.47","0.03","90","","339.73","0.06","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1158","0.0447","","","0.0925","0.122","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016591","3.7801","0.0003","6.7338","0.0006","13.3758","0.0015","90","","96.34","0.03","90","","338.39","0.06","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1085","0.0486","","","0.1017","0.1261","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016592","3.7635","0.0003","6.7201","0.0006","13.3762","0.0014","90","","96.13","0.03","90","","336.36","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.0994","0.0471","","","0.0977","0.1194","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016593","3.7372","0.0002","6.6991","0.0005","13.3748","0.0013","90","","96.84","0.03","90","","332.47","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.0832","0.0459","","","0.0956","0.1133","","","","","","1.079","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016594","3.7139","0.0002","6.6746","0.0005","13.3712","0.0013","90","","95.49","0.03","90","","329.94","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.0756","0.0461","","","0.0934","0.1064","","","","","","1.116","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016595","4.9394","0.0013","14.6718","0.0019","16.8181","0.0016","90","","90","","90","","1218.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-5-fluoro-7-(β-D-ribofuranosyl)-7<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidine","","- C11 H13 F N4 O4 -","- C11 H13 F N4 O4 -","- C44 H52 F4 N16 O16 -","4","1","HJ3068","Seela, Frank; Ming, Xin; Budow, Simone; Eickmeier, Henning; Reuter, Hans","7-Fluorotubercidin: a halogenated derivative of a naturally occurring nucleoside antimetabolite","Acta Crystallographica Section C","2008","64","5","o293","o295","10.1107/S0108270108010160","","","0.71073","MoKα","","0.0435","0.0387","","","0.1033","0.1069","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016596","15.734","0.009","10.614","0.006","7.717","0.003","90","","90","","90","","1288.7","1.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-[N-(2-chlorophenyl)carbamoyl]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C52 H44 Cl4 N8 O12 S4 -","4","1","HJ3069","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Khan, Islam Ullah; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(<i>X</i>-Chlorophenyl)carbamoyl]benzenesulfonamide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","5","o286","o289","10.1107/S0108270108009530","","","0.71073","MoKα","","0.045","0.0334","","","0.075","0.0825","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016597","7.435","0.002","16.006","0.006","22.061","0.007","90","","90","","90","","2625.4","1.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[N-(4-chlorophenyl)carbamoyl]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C104 H88 Cl8 N16 O24 S8 -","8","1","HJ3069","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Khan, Islam Ullah; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(<i>X</i>-Chlorophenyl)carbamoyl]benzenesulfonamide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","5","o286","o289","10.1107/S0108270108009530","","","0.71073","MoKα","","0.0833","0.0449","","","0.1024","0.1218","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016598","8.5964","0.0002","23.6415","0.0006","7.5383","0.0002","90","","90","","90","","1532.02","0.07","298","2","298","2","","","","","","","","3","C m c a","-C 2ac 2","64","","didysprosium heptanickel tritin","","- Dy2 Ni7 Sn3 -","- Dy2 Ni7 Sn3 -","- Dy16 Ni56 Sn24 -","8","","IZ3047","Romaka, V.; Gladyshevskii, R.; Marciniak, B.; Pavlyuk, V.","Dy~2~Ni~7~Sn~3~: a new member of the CaCu~5~ family of intermetallics","Acta Crystallographica Section C","2008","64","5","i45","i46","10.1107/S0108270108009657","","","0.71073","MoKα","","0.0408","0.0281","","","0.0584","0.0666","","","","","","1.24","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016599","9.4309","0.0004","9.4309","0.0004","38.4799","0.0017","90","","90","","120","","2963.9","0.2","296","","296","","","","","","","","","6","P 32","P 32","145","","diiodidobis(4-methoxyphenyl)tellurium(II) dimethyl sulfoxide hemisolvate","","- C15 H17 I2 O2.5 S0.5 Te -","- C15 H17 I2 O2.5 S0.5 Te -","- C90 H102 I12 O15 S3 Te6 -","6","2","JZ3121","Farran, Joan; Alvarez-Larena, Angel; Piniella, Joan F.; Capparelli, Mario V.; Friese, Karen","Twinning by merohedry in bis(4-methoxyphenyl)tellurium(IV) diiodide dimethyl sulfoxide hemisolvate","Acta Crystallographica Section C","2008","64","5","o257","o260","10.1107/S0108270108007804","","","0.71073","MoKα","","0.037","0.0312","","","0.0319","0.0329","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016600","6.83","0.0005","14.6428","0.0014","12.565","0.0009","90","","104.903","0.009","90","","1214.36","0.18","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetraaqua-2κ^4^O-di-μ~2~-4,4'-bi-1,2,4-triazole- 1:2κ^2^N^1^:N^1'^,2:3κ^2^N^1^:N^1'^-hexachlorido-1κ^3^Cl,3κ^3^Cl- trizinc(II)","","- C8 H16 Cl6 N12 O4 Zn3 -","- C8 H16 Cl6 N12 O4 Zn3 -","- C16 H32 Cl12 N24 O8 Zn6 -","2","0.5","JZ3126","Govor, Evgen V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.","Zinc(II) and cadmium(II) chloride complexes with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","5","m201","m204","10.1107/S0108270108008779","","","0.71073","MoKα","","0.0327","0.0241","","","0.0548","0.0558","","","","","","0.885","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016601","21.789","0.002","6.3833","0.0004","13.8073","0.0013","90","","107.468","0.011","90","","1831.8","0.3","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[cadmium(II)-μ~2~-4,4'-bi-1,2,4-triazole-κ^2^N^1^:N^2^-di-μ~2~-chlorido]","","- C4 H4 Cd Cl2 N6 -","- C4 H4 Cd Cl2 N6 -","- C32 H32 Cd8 Cl16 N48 -","8","1","JZ3126","Govor, Evgen V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.","Zinc(II) and cadmium(II) chloride complexes with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","5","m201","m204","10.1107/S0108270108008779","","","0.71073","MoKα","","0.0311","0.027","","","0.0683","0.0692","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016602","9.442","0.002","7.6914","0.0016","23.09","0.005","90","","93.733","0.003","90","","1673.3","0.6","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","20-Desmethyl-β-carotene","20-nor-β,β-carotene","","- C39 H54 -","- C39 H54 -","- C78 H108 -","2","1","JZ3128","Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Wilkinson, James","Two polymorphs of 20-desmethyl-β-carotene","Acta Crystallographica Section C","2008","64","5","o252","o256","10.1107/S0108270108007816","","","0.71073","MoKα","","0.1359","0.0579","","","0.0964","0.1115","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016603","8.5717","0.0013","14.089","0.002","15.638","0.002","111.776","0.002","99.304","0.003","99.084","0.003","1681.1","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","20-Desmethyl-β-carotene","20-nor-β,β-carotene","","- C39 H54 -","- C39 H54 -","- C78 H108 -","2","1","JZ3128","Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Wilkinson, James","Two polymorphs of 20-desmethyl-β-carotene","Acta Crystallographica Section C","2008","64","5","o252","o256","10.1107/S0108270108007816","","","0.71073","MoKα","","0.0863","0.0521","","","0.1259","0.1419","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016604","15.61","0.0012","13.2847","0.001","17.2233","0.0013","90","","91.358","0.006","90","","3570.7","0.5","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(2-chlorobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium chloride hemihydrate","","- C20 H18 Cl2 N O1.5 -","- C20 H18 Cl2 N O1.5 -","- C160 H144 Cl16 N8 O12 -","8","1","LN3095","Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej","Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br)","Acta Crystallographica Section C","2008","64","5","o269","o271","10.1107/S0108270108009037","","","0.71073","MoKα","","0.0616","0.0362","","","0.0929","0.1039","","","","","","1.21","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016605","15.6975","0.0008","13.5505","0.0007","17.2562","0.001","90","","92.879","0.004","90","","3665.9","0.3","294","1","294","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(2-bromobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium bromide hemihydrate","","- C20 H18 Br2 N O1.5 -","- C20 H18 Br2 N O1.5 -","- C160 H144 Br16 N8 O12 -","8","1","LN3095","Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej","Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br)","Acta Crystallographica Section C","2008","64","5","o269","o271","10.1107/S0108270108009037","","","0.71073","MoKα","","0.0575","0.028","","","0.065","0.0744","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016606","6.517","0.001","6.807","0.001","14.777","0.003","90","","90.36","0.02","90","","655.51","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diaminomethylene)thiouron-1-ium chloride","","- C2 H7 Cl N4 S -","- C2 H7 Cl N4 S -","- C8 H28 Cl4 N16 S4 -","4","1","SK3208","Perpétuo, Genivaldo Júlio; Janczak, Jan","The chloride, bromide and iodide salts of 1-(diaminomethylene)thiouron-1-ium","Acta Crystallographica Section C","2008","64","5","o264","o268","10.1107/S0108270108008688","","","0.71073","MoKα","","0.0532","0.0302","","","0.0573","0.0619","","","","","","0.988","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016607","4.9661","0.0009","7.4841","0.0017","9.5739","0.0019","94.22","0.014","90.091","0.011","104.012","0.015","344.24","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium bromide","","- C2 H7 Br N4 S -","- C2 H7 Br N4 S -","- C4 H14 Br2 N8 S2 -","2","1","SK3208","Perpétuo, Genivaldo Júlio; Janczak, Jan","The chloride, bromide and iodide salts of 1-(diaminomethylene)thiouron-1-ium","Acta Crystallographica Section C","2008","64","5","o264","o268","10.1107/S0108270108008688","","","0.71073","MoKα","","0.0481","0.0355","","","0.0788","0.0852","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016608","10.929","0.003","7.875","0.001","9.456","0.002","90","","111.1","0.01","90","","759.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diaminomethylene)thiouron-1-ium iodide","","- C2 H7 I N4 S -","- C2 H7 I N4 S -","- C8 H28 I4 N16 S4 -","4","1","SK3208","Perpétuo, Genivaldo Júlio; Janczak, Jan","The chloride, bromide and iodide salts of 1-(diaminomethylene)thiouron-1-ium","Acta Crystallographica Section C","2008","64","5","o264","o268","10.1107/S0108270108008688","","","0.71073","MoKα","","0.0245","0.0212","","","0.0523","0.0546","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016609","5.0425","0.0006","9.2564","0.001","11.4901","0.0013","90","","102.492","0.002","90","","523.61","0.1","140","2","140","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","1,3-bis(n-ethylamino)-2-nitrobenzene","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C20 H30 N6 O4 -","2","0.5","SK3210","Walczak, Christopher P.; Yonkey, Matthew M.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin","1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2008","64","5","o248","o251","10.1107/S0108270108008275","","","0.71073","MoKα","","0.0511","0.0463","","","0.1182","0.1207","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016610","21.5603","0.0016","9.1066","0.0007","12.6778","0.001","90","","121.56","0.002","90","","2121","0.3","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis(n-octylamino)-2-nitrobenzene","","- C22 H39 N3 O2 -","- C22 H39 N3 O2 -","- C88 H156 N12 O8 -","4","0.5","SK3210","Walczak, Christopher P.; Yonkey, Matthew M.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin","1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2008","64","5","o248","o251","10.1107/S0108270108008275","","","0.71073","MoKα","","0.0709","0.0538","","","0.1394","0.1493","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016611","9.6166","0.0003","16.2072","0.0005","12.1236","0.0003","90","","93.278","0.001","90","","1886.47","0.1","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-n-ethyl-2-methyl-1H-benzimidazole","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","2","SK3210","Walczak, Christopher P.; Yonkey, Matthew M.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin","1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2008","64","5","o248","o251","10.1107/S0108270108008275","","","0.71073","MoKα","","0.0482","0.0444","","","0.1157","0.1181","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016612","5.8862","0.0001","15.0988","0.0003","21.5413","0.0004","90","","90","","90","","1914.47","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","SK3212","Pinto, Rui M. A.; Salvador, Jorge A. R.; Paixão, José A.","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate and 5β,6β-epoxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section C","2008","64","5","o279","o282","10.1107/S0108270108009621","","","0.71073","MoKα","","0.0519","0.0402","","","0.1136","0.1228","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016613","6.2955","0.0001","11.893","0.0001","27.9396","0.0004","90","","90","","90","","2091.9","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5β,6β-Epoxy-20-oxopregnan-3β-yl acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","SK3212","Pinto, Rui M. A.; Salvador, Jorge A. R.; Paixão, José A.","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate and 5β,6β-epoxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section C","2008","64","5","o279","o282","10.1107/S0108270108009621","","","0.71073","MoKα","","0.0492","0.0414","","","0.1192","0.1268","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016614","15.243","0.0007","7.5653","0.0005","14.1276","0.0009","90","","117.247","0.004","90","","1448.39","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pentaaqua(biuret-κ^2^O,O')scandium(III) trichloride monohydrate,","","- C2 H17 Cl3 N3 O8 Sc -","- C2 H17 Cl3 N3 O8 Sc -","- C8 H68 Cl12 N12 O32 Sc4 -","4","1","SK3214","Harrison, William T. A.","Two scandium‒biuret complexes: [Sc(C~2~H~5~N~3~O~2~)(H~2~O)~5~]Cl~3~·H~2~O and [Sc(C~2~H~5~N~3~O~2~)~4~](NO~3~)~3~","Acta Crystallographica Section C","2008","64","5","m205","m208","10.1107/S010827010800824X","","","0.71073","MoKα","","0.0277","0.0234","","","0.0575","0.0597","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016615","19.2409","0.0013","7.0167","0.0004","17.4653","0.0013","90","","107.344","0.004","90","","2250.7","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(biuret-κ^2^O,O')scandium(III) trinitrate","","- C8 H20 N15 O17 Sc -","- C8 H20 N15 O17 Sc -","- C32 H80 N60 O68 Sc4 -","4","0.5","SK3214","Harrison, William T. A.","Two scandium‒biuret complexes: [Sc(C~2~H~5~N~3~O~2~)(H~2~O)~5~]Cl~3~·H~2~O and [Sc(C~2~H~5~N~3~O~2~)~4~](NO~3~)~3~","Acta Crystallographica Section C","2008","64","5","m205","m208","10.1107/S010827010800824X","","","0.71073","MoKα","","0.0957","0.0506","","","0.1046","0.1216","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016616","9.8821","0.0008","11.017","0.0009","12.2592","0.001","83.444","0.001","88.054","0.001","84.345","0.001","1319.14","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,2'-dithiodibenzoic acid‒isonicotinohydrazide (1/2)","","- C26 H24 N6 O6 S2 -","- C26 H24 N6 O6 S2 -","- C52 H48 N12 O12 S4 -","2","1","SK3220","Meng, Xiang-Gao; Xiao, Yi-Long; Zhang, Hang; Zhou, Chun-Shan","Hydrogen-bonded layers in the 1:2 cocrystal of 2,2'-dithiodibenzoic acid with isonicotinohydrazide","Acta Crystallographica Section C","2008","64","5","o261","o263","10.1107/S0108270108008925","","","0.71073","Mokα","","0.0867","0.0572","","","0.1261","0.137","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016617","7.4518","0.0002","17.2432","0.0003","10.0691","0.0002","90","","90","","90","","1293.81","0.05","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","4'-iodo-2,2':6',2''-terpyridine","","- C15 H10 I N3 -","- C15 H10 I N3 -","- C60 H40 I4 N12 -","4","1","SK3224","Fallahpour, Reza-Ali; Linden, Anthony","4'-Iodo-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","o283","o285","10.1107/S0108270108010354","","","0.71073","MoKα","","0.0422","0.04","","","0.0946","0.0961","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016618","18.8426","0.0004","17.1996","0.0004","18.0722","0.0004","90","","97.08","0.001","90","","5812.3","0.2","176","2","176","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3,12,13-Tetrabromo-5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin 1,2-dichloroethane solvate","","- C62 H62 Br4 Cl2 N4 O4 -","- C62 H62 Br4 Cl2 N4 O4 -","- C248 H248 Br16 Cl8 N16 O16 -","4","1","SQ3133","Bhyrappa, P.; Arunkumar, C.; Varghese, B.","2,3,12,13-Tetrabromo-5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin 1,2-dichloroethane solvate","Acta Crystallographica Section C","2008","64","5","o276","o278","10.1107/S0108270108009645","","","0.71073","MoKα","","0.0885","0.0514","","","0.1209","0.1445","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016619","13.304","0.013","12.125","0.012","27.3","0.03","90","","110.761","0.012","90","","4118","7","120.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(II) bis(tetrafluoridoborate) nitromethane solvate","","- C45 H31 B2 Co F8 N9 O2 -","- C45 H31 B2 Co F8 N9 O2 -","- C180 H124 B8 Co4 F32 N36 O8 -","4","1","SQ3135","Yu, Zhong; Nabei, Atsuhiro; Izumi, Takafumi; Okubo, Takashi; Kuroda-Sowa, Takayoshi","Cobalt(II) and cobalt(III) complexes with 4'-(4-cyanophenyl)-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","m209","m212","10.1107/S010827010800992X","","","0.7107","MoKα","","","0.0698","","","","0.1685","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016620","37.8","0.02","10.748","0.006","22.99","0.01","90","","102.388","0.009","90","","9123","8","110.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(III) tris(tetrafluoridoborate) nitromethane sesquisolvate","","- C91 H65 B6 Co2 F24 N19 O6 -","- C45.5 H32.5 B3 Co F12 N9.5 O3 -","- C364 H260 B24 Co8 F96 N76 O24 -","8","1","SQ3135","Yu, Zhong; Nabei, Atsuhiro; Izumi, Takafumi; Okubo, Takashi; Kuroda-Sowa, Takayoshi","Cobalt(II) and cobalt(III) complexes with 4'-(4-cyanophenyl)-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","m209","m212","10.1107/S010827010800992X","","","0.7107","MoKα","","","0.0963","","","","0.2376","","","","","","1.168","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016621","6.542","0.005","9.324","0.008","17.631","0.014","77.594","0.017","84","0.02","89.39","0.02","1044.5","1.5","298","","","","","","","","","","","4","P -1","-P 1","2","Desvenlafaxine succinate monohydrate","[2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]dimethylammonium 3-carboxypropanoate monohydrate","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","SQ3139","Venu, Nalivela; Sreekanth, Bukkapattanam R.; Ram, Thaimattam; Devarakonda, Surya","Desvenlafaxine succinate monohydrate","Acta Crystallographica Section C","2008","64","5","o290","o292","10.1107/S0108270108010019","","","0.7107","MoKα","","","0.065","","","","0.1005","","","","","","1.253","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016622","6.8227","0.001","19.7775","0.0004","20.3661","0.0004","90","","94.905","0.001","90","","2738.1","0.4","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4-[2,2-Bis(methoxyethoxymethoxymethyl)propylenedithio]- 3',4'-(ethylenedithio)tetrathiafulvalene","2-(1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene)-6,6- bis(methoxyethoxymethoxymethyl)-1,3-dithiolo[4,5-b][1,4]dithiepine","","- C21 H30 O6 S8 -","- C21 H30 O6 S8 -","- C84 H120 O24 S32 -","4","1","SU3017","Brooks, Andrew C.; Day, Peter; Wallis, John D.","3,4-[2,2-Bis(methoxyethoxymethoxymethyl)propylenedithio]-3',4'-(ethylenedithio)tetrathiafulvalene: a spiro-substituted BEDT‒TTF analogue","Acta Crystallographica Section C","2008","64","5","o245","o247","10.1107/S0108270108005933","","","0.71073","MoKα","","0.0422","0.0287","","","0.059","0.0634","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016623","17.167","0.003","5.843","0.004","8.754","0.003","90","","90","","90","","878.1","0.7","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","Potassium dihydrobis(pyrazol-1-yl)borate","Poly[[μ~4~-dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']potassium(I)]","","- C6 H8 B K N4 -","- C6 H8 B K N4 -","- C24 H32 B4 K4 N16 -","4","0.5","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0242","0.0237","","","0.0563","0.0564","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016624","15.119","0.003","13.862","0.002","15.453","0.003","90","","99.319","0.003","90","","3195.9","1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(k2-N2-Bp)Mg(THF)(u-Cl)2Mg(THF)2(k2-N2-Bp)]","di-μ-chlorido-bis[dihydridobis(pyrazol-1-yl)borato]- 1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-tris(tetrahydrofuran)- 1κ^2^O,2κO-dimagnesium(II)","","- C24 H40 B2 Cl2 Mg2 N8 O3 -","- C24 H40 B2 Cl2 Mg2 N8 O3 -","- C96 H160 B8 Cl8 Mg8 N32 O12 -","4","1","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0682","0.0542","","","0.1257","0.1331","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016625","9.951","0.003","10.741","0.002","20.996","0.003","99.137","0.005","97.41","0.004","107.909","0.003","2070.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(k2-N2-Bp)Mg(THF)]","bis[dihydridobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>'](tetrahydrofuran- κO)magnesium(II)","","- C16 H24 B2 Mg N8 O -","- C16 H24 B2 Mg N8 O -","- C64 H96 B8 Mg4 N32 O4 -","4","2","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0841","0.0489","","","0.1032","0.1152","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016626","9.4171","0.0019","10.936","0.002","13.013","0.003","94.069","0.003","109.329","0.003","105.568","0.003","1199.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(k2-N2-Bp)2Mg(THF)2]","bis[dihydridobis(pyrazol-1-yl)borato- κ^2^<i>N</i>,<i>N</i>']bis(tetrahydrofuran-κO)magnesium(II)","","- C20 H32 B2 Mg N8 O2 -","- C20 H32 B2 Mg N8 O2 -","- C40 H64 B4 Mg2 N16 O4 -","2","1","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0513","0.0425","","","0.1065","0.1093","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016627","5.2779","0.0006","6.6526","0.0007","10.4424","0.0015","86.84","0.011","76.844","0.011","70.097","0.01","335.6","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium hemioxalate","","","- C8 H16 N2 O8 S2 -","- C8 H16 N2 O8 S2 -","- C8 H16 N2 O8 S2 -","1","0.5","AV3146","Drebushchak, Tatiana N.; Bizyaev, Sergey N.; Boldyreva, Elena V.","Bis(<small>DL</small>-cysteinium) oxalate","Acta Crystallographica Section C","2008","64","6","o313","o315","10.1107/S0108270108012341","","","0.71073","MoKα","","0.0614","0.0408","","","0.1051","0.1166","","","","","","1.08","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2016628","43.253","0.003","9.9863","0.0008","44.354","0.003","90","","113.496","0.004","90","","17570","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","chloridotris(triphenylphosphine-κP)copper(I)","","- C54 H45 Cl Cu P3 -","- C54 H45 Cl Cu P3 -","- C864 H720 Cl16 Cu16 P48 -","16","2","BG3066","Machado, Aline; Manzoni de Oliveira, Gelson N.; Fenner, Herton; Burrow, Robert A.","A centrosymmetric polymorph of chloridotris(triphenylphosphine-κ<i>P</i>)copper(I) at 150K","Acta Crystallographica Section C","2008","64","6","m233","m236","10.1107/S0108270108011232","","","0.71073","MoKα","","0.0895","0.0523","","","0.1201","0.1372","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016629","15.5007","0.0009","17.4385","0.0009","17.2438","0.0012","90","","91.003","0.005","90","","4660.4","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(1,2-dimethoxyethane-κ^2^O,O')sodium bis(tri-tert-butoxysilanethiolato-κ^2^O,S)sodate","","- C32 H74 Na2 O10 S2 Si2 -","- C32 H74 Na2 O10 S2 Si2 -","- C128 H296 Na8 O40 S8 Si8 -","4","1","BG3075","Chojnacki, Jaroslaw; Ciborska, Anna; Wojnowski, Wieslaw","A study of chirality in bis(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')sodium bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)sodate","Acta Crystallographica Section C","2008","64","6","m240","m242","10.1107/S0108270108015242","","","0.71073","MoKα","","","0.0491","","","","0.1086","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016630","9.3257","0.0002","16.7918","0.0004","9.86","0.0002","90","","110.693","0.001","90","","1444.42","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfasymazine","4-amino-<i>N</i>-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide","","- C13 H17 N5 O2 S -","- C13 H17 N5 O2 S -","- C52 H68 N20 O8 S4 -","4","1","EM3013","Haddow, Mairi F.; Gelbrich, Thomas; Griesser, Ulrich J.","Similar sulfonamides with different crystal structures: sulfasymazine and sulfatriazine","Acta Crystallographica Section C","2008","64","6","o309","o312","10.1107/S0108270108011888","","","0.71073","MoKα","","0.0535","0.0424","","","0.1081","0.1143","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016631","8.1566","0.0003","8.6577","0.0004","10.541","0.0004","97.18","0.003","103.374","0.002","109.255","0.002","667.06","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","sulfatriazine","4-amino-<i>N</i>-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide","","- C11 H13 N5 O4 S -","- C11 H13 N5 O4 S -","- C22 H26 N10 O8 S2 -","2","1","EM3013","Haddow, Mairi F.; Gelbrich, Thomas; Griesser, Ulrich J.","Similar sulfonamides with different crystal structures: sulfasymazine and sulfatriazine","Acta Crystallographica Section C","2008","64","6","o309","o312","10.1107/S0108270108011888","","","0.71073","MoKα","","0.0626","0.052","","","0.1456","0.1566","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016632","18.4646","0.0009","9.093","0.0003","28.0986","0.0014","90","","112.774","0.004","90","","4349.9","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}- 1κ^3^N,N',N'';3κ^3^N,N',N''-di-μ-chlorido-trichlorido-1λCl,2κCl,3κCl- copper(I)dicopper(II)","","- C42 H34 Cl5 Cu3 F4 N6 -","- C42 H34 Cl5 Cu3 F4 N6 -","- C168 H136 Cl20 Cu12 F16 N24 -","4","1","GA3087","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';3κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-di-μ-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>;2:3κ^2^<i>Cl</i>:<i>Cl</i>-trichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>,3κ<i>Cl</i>-2-copper(I)-1,3-dicopper(II)","Acta Crystallographica Section C","2008","64","6","m224","m227","10.1107/S0108270108012237","","","0.71073","MoKα","","0.0537","0.0323","","","0.0666","0.0721","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016633","5.8011","0.0009","8.4511","0.0014","9.43","0.002","109.15","0.02","91.441","0.01","104.639","0.011","419.59","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium perchlorate","","- C2 H7 Cl N4 O4 S -","- C2 H7 Cl N4 O4 S -","- C4 H14 Cl2 N8 O8 S2 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0517","0.0358","","","0.0895","0.0967","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016634","7.8371","0.0011","8.103","0.002","8.104","0.002","60.88","0.01","65.99","0.01","87.54","0.02","402.86","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium hydrogen sulfate","","- C2 H8 N4 O4 S2 -","- C2 H8 N4 O4 S2 -","- C4 H16 N8 O8 S4 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0312","0.0286","","","0.0681","0.0703","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016635","4.5229","0.0008","8.3241","0.0011","11.574","0.002","88.16","0.012","86.191","0.011","87.359","0.01","434.14","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium dihydrogen phosphate","","- C2 H9 N4 O4 P S -","- C2 H9 N4 O4 P S -","- C4 H18 N8 O8 P2 S2 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0328","0.0272","","","0.068","0.0715","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016636","4.725","0.0008","8.4071","0.001","11.3841","0.0019","89.402","0.011","86.84","0.012","88.871","0.014","451.42","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium dihydrogen arsenate","","- C2 H9 As N4 O4 S -","- C2 H9 As N4 O4 S -","- C4 H18 As2 N8 O8 S2 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0444","0.041","","","0.1046","0.1092","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016637","20.37","0.003","3.7506","0.0006","24.07","0.003","90","","94.873","0.003","90","","1832.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-nitrophenol‒acetamide (1:1)","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C64 H80 N16 O32 -","8","2","GD3203","Loureiro, Rui M. S.; Johnstone, Robert A. W.; Labat, Gaël","Hydrogen-bond patterns in the congruent complex 4-nitrophenol‒acetamide (1/1)","Acta Crystallographica Section C","2008","64","6","o306","o308","10.1107/S0108270108011530","","","0.71073","MoKα","","0.0825","0.0698","","","0.1766","0.1851","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016638","15.158","0.002","14.8108","0.0015","7.4512","0.0011","90","","111.892","0.011","90","","1552.2","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-cyanido-\ κ^2^C:N)bis(cyanido-κC)nickel(II)copper(II)]","","- C14 H12 Cu N6 Ni O2 -","- C14 H12 Cu N6 Ni O2 -","- C56 H48 Cu4 N24 Ni4 O8 -","4","0.5","GD3207","Sereda, Olha; Stoeckli-Evans, Helen","Poly[diaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)bis(cyanido-κ<i>C</i>)nickel(II)copper(II)]: a metal‒organic cyanide-bridged framework","Acta Crystallographica Section C","2008","64","6","m221","m223","10.1107/S0108270108011694","","","0.71073","MoKα","","0.0254","0.0206","","","0.0525","0.0539","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016639","6.9565","0.0007","41.727","0.004","13.4827","0.0015","90","","90","","90","","3913.7","0.7","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)","","- C38 H31 F15 N8 O3 -","- C38 H31 F15 N8 O3 -","- C152 H124 F60 N32 O12 -","4","0.5","GG3148","Domasevitch, Konstantin V.","3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)","Acta Crystallographica Section C","2008","64","6","o326","o329","10.1107/S0108270108013632","","","0.71073","MoKα","","0.0471","0.039","","","0.1009","0.1055","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016640","10.4298","0.0015","13.96","0.002","14.701","0.002","82.296","0.002","84.921","0.002","74.872","0.002","2044.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28- tetrayltetraoxy)tetraacetate","","- C36 H28 Br4 O12 S4 -","- C36 H28 Br4 O12 S4 -","- C72 H56 Br8 O24 S8 -","2","1","GG3153","Xu, Wei-Na; Yuan, Jiu-Mao; Liu, Yang; Ma, Jian-Ping; Guo, Dian-Shun","1,3-Alternate and partial cone conformers of tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate and tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate","Acta Crystallographica Section C","2008","64","6","o349","o352","10.1107/S0108270108013838","","","0.71073","MoKα","","0.0489","0.0353","","","0.0858","0.0907","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016641","23.06","0.004","13.547","0.002","20.083","0.004","90","","122.89","0.002","90","","5268.2","1.6","173","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene- 25,26,27,28-tetrayltetraoxy)tetraacetate","","- C52 H64 O12 S4 -","- C52 H64 O12 S4 -","- C208 H256 O48 S16 -","4","0.5","GG3153","Xu, Wei-Na; Yuan, Jiu-Mao; Liu, Yang; Ma, Jian-Ping; Guo, Dian-Shun","1,3-Alternate and partial cone conformers of tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate and tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate","Acta Crystallographica Section C","2008","64","6","o349","o352","10.1107/S0108270108013838","","","0.71073","MoKα","","0.0778","0.0611","","","0.1538","0.1637","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016642","14.1973","0.0017","4.3526","0.0004","14.9151","0.0014","90","","115.484","0.008","90","","832.01","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Iodoquinoline","","- C9 H6 I N -","- C9 H6 I N -","- C36 H24 I4 N4 -","4","1","HJ3071","Singh, Latika; Mobin, Shaikh M.; Talwar, Satya S.","4-Iodoquinoline","Acta Crystallographica Section C","2008","64","6","o316","o318","10.1107/S0108270108011682","","","0.71073","MoKα","","0.0392","0.0305","","","0.0713","0.0747","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016643","18.326","0.003","10.3875","0.0014","8.2618","0.0012","90","","90","","90","","1572.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-phenyl-1-pyrroline","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole","","- C10 H11 N -","- C10 H11 N -","- C80 H88 N8 -","8","1","HJ3072","Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole: the first example of a planar monosubstituted 1-pyrroline","Acta Crystallographica Section C","2008","64","6","o303","o305","10.1107/S0108270108011360","","","0.71073","MoKα","","0.0531","0.0422","","","0.1128","0.1202","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016644","7.0529","0.0011","10.2407","0.0012","12.1199","0.0015","90","","90","","90","","875.4","0.2","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-cysteinium hemioxalate","L-Cysteinium hemioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C20 H36 N4 O24 S4 -","4","1","LN3098","Minkov, Vasil S.; Boldyreva, Elena V.","<small>L</small>-Cysteinium semioxalate","Acta Crystallographica Section C","2008","64","6","o344","o348","10.1107/S0108270108014911","","","0.71073","MoKα","","0.0443","0.0336","","","0.0694","0.0724","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016645","7.2649","0.0005","8.9459","0.0007","9.6844","0.0007","75.406","0.001","72.731","0.001","77.966","0.002","575.52","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-methylimidazolium hydrogen terephthalate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C24 H24 N4 O8 -","2","1","SK3225","Meng, Xiang-Gao; Lin, Zhi-Dong; Li, Ai-Min","Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate","Acta Crystallographica Section C","2008","64","6","o322","o325","10.1107/S0108270108013024","","","0.71073","Mokα","","0.0573","0.0491","","","0.1492","0.1555","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016646","10.7759","0.0007","7.5608","0.0005","10.3254","0.0007","90","","103.454","0.001","90","","818.17","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(4-methylimidazolium) terephthalate","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C32 H36 N8 O8 -","2","0.5","SK3225","Meng, Xiang-Gao; Lin, Zhi-Dong; Li, Ai-Min","Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate","Acta Crystallographica Section C","2008","64","6","o322","o325","10.1107/S0108270108013024","","","0.71073","Mokα","","0.0596","0.0484","","","0.1414","0.1505","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016647","5.7537","0.0003","11.2421","0.0004","15.1672","0.0007","90","","94.188","0.002","90","","978.45","0.08","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-fluoro-<i>N</i>'-(4-pyridyl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","SK3227","Donnelly, Katie; Gallagher, John F.; Lough, Alan J.","Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides","Acta Crystallographica Section C","2008","64","6","o335","o340","10.1107/S0108270108012067","","","0.71073","MolybdenumKα","","0.0885","0.0477","","","0.1095","0.1317","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016648","5.9832","0.0003","11.1508","0.0005","14.8921","0.0007","90","","94.986","0.003","90","","989.8","0.08","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-<i>N</i>'-(4-pyridyl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","SK3227","Donnelly, Katie; Gallagher, John F.; Lough, Alan J.","Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides","Acta Crystallographica Section C","2008","64","6","o335","o340","10.1107/S0108270108012067","","","0.71073","MolybdenumKα","","0.0609","0.0436","","","0.1092","0.1208","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016649","5.6506","0.0003","11.3882","0.0008","15.4314","0.0008","90","","95.602","0.003","90","","988.27","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-fluoro-<i>N</i>'-(4-pyridyl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","SK3227","Donnelly, Katie; Gallagher, John F.; Lough, Alan J.","Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides","Acta Crystallographica Section C","2008","64","6","o335","o340","10.1107/S0108270108012067","","","0.71073","MolybdenumKα","","0.0902","0.0512","","","0.1226","0.1468","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016650","23.943","0.005","13.445","0.002","12.336","0.005","90","","118.594","0.01","90","","3486.8","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)-5-(4-nitrophenyl)-4,7- dihydropyrazolo[1,5-<i>a</i>]pyrimidine-3,6-dicarbaldehyde","","- C20 H13 Cl N4 O4 -","- C20 H13 Cl N4 O4 -","- C160 H104 Cl8 N32 O32 -","8","1","SK3236","Trilleras, Jorge; Quiroga, Jairo; Low, John N.; Cobo, Justo; Glidewell, Christopher","2-(4-Chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-<i>a</i>]pyrimidine-3,6-dicarbaldehyde: a chain of rings built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2008","64","6","o341","o343","10.1107/S0108270108014509","","","0.71073","MoKα","","0.1067","0.0505","","","0.1085","0.1387","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016651","12.6503","0.0005","17.177","0.0005","7.1379","0.0003","90","","105.009","0.002","90","","1498.11","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7-Hydroxy-5-methoxy-6,8-dimethylflavanone","(2S)-7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-3,4-dihydrochromen-4(2H)-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","SQ3134","Dacunha-Marinho, Bruno; Martínez, Ana; Estévez, Ramón J.","7-Hydroxy-5-methoxy-6,8-dimethylflavanone: a natural flavonoid","Acta Crystallographica Section C","2008","64","6","o353","o356","10.1107/S0108270108014959","","","0.7107","MoKα","","0.1156","0.0662","","","0.1522","0.1698","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016652","7.8767","0.0004","12.7381","0.0006","9.344","0.0004","90","","90.756","0.004","90","","937.44","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly[[μ-aqua-diaqua(μ~5~-propane-1,3- diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]","","- C11 H24 Co Li2 N2 O13 -","- C11 H24 Co Li2 N2 O13 -","- C22 H48 Co2 Li4 N4 O26 -","2","1","SQ3137","Rychlewska, Urszula; Warżajtis, Beata; Djuran, Miloš I.; Radanović, Dušanka D.; Dimitrijević, Mirjana Dj.; Rajković, Snežana","Coordination behaviour and two-dimensional-network formation in poly[[μ-aqua-diaqua(μ~5~-propane-1,3-diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]: the first example of an <i>M</i>^II^‒1,3-pdta complex with a monovalent metal counter-ion","Acta Crystallographica Section C","2008","64","6","m217","m220","10.1107/S0108270108010706","","","0.71073","MoKα","","0.0383","0.0276","","","0.0497","0.0517","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016653","11.234","0.004","11.576","0.0011","11.834","0.003","72.74","0.017","75.67","0.03","68.91","0.02","1354","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","[FeL1a(3-apy)(MeOH)]","(3-aminopyridine-κN^1^){(<i>E</i>,<i>E</i>)-diethyl 2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis(3-oxobutanate)(2-)- κ^2^O^3^,N,N',O^3'^}(methanol-κO)iron(II)","","- C26 H32 Fe N4 O7 -","- C26 H32 Fe N4 O7 -","- C52 H64 Fe2 N8 O14 -","2","1","SQ3144","Bauer, Wolfgang; Weber, Birgit","Magnetism and crystal structure of an N~3~O~3~-coordinated iron(II) complex","Acta Crystallographica Section C","2008","64","6","m237","m239","10.1107/S0108270108013498","","","0.71073","MoKα","","0.0588","0.0326","","","0.0748","0.0813","","","","","","0.942","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016654","8.6898","0.001","9.2312","0.0012","12.3633","0.0014","72.377","0.011","73.574","0.01","67.681","0.009","858.41","0.19","298","2","296","1","101","2","","","","","","3","P -1","-P 1","2","","<i>rac</i>-9-Ethyl-12a-hydroxytetradecahydrotriphenylene- 1,5(2<i>H</i>,4b<i>H</i>)-dione","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","SU3020","García, Luis Arturo; Bernès, Sylvain; Anaya de Parrodi, Cecilia","<i>rac</i>-9-Ethyl-12a-hydroxytetradecahydrotriphenylene-1,5(2<i>H</i>,4b<i>H</i>)-dione: stabilization of a new isomer of a functionalized perhydrotriphenylene through a tandem Michael addition‒aldol reaction","Acta Crystallographica Section C","2008","64","6","o319","o321","10.1107/S0108270108011876","","","0.71073","MoKα","","0.0648","0.0419","","","0.1036","0.1185","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016655","11.362","0.002","7.5474","0.0015","13.029","0.003","90","","90.8","0.03","90","","1117.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3,4-dimethoxyphenyl)acetic acid monohydrate","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","AV3147","Hachuła, Barbara; Nowak, Maria; Kusz, Joachim","Hydrogen-bonding interactions in (3,4-dimethoxyphenyl)acetic acid monohydrate","Acta Crystallographica Section C","2008","64","7","o357","o360","10.1107/S0108270108014157","","","0.71073","MoKα","","0.0677","0.0496","","","0.143","0.1515","","","","","","1.154","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016656","9.8033","0.0006","10.4492","0.0007","11.2169","0.0007","100.573","0.002","94.878","0.002","102.446","0.003","1093.64","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","methyl isopropyl 2-(triphenylphosphoranyliden)malonate","","- C25 H25 O4 P -","- C25 H25 O4 P -","- C50 H50 O8 P2 -","2","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.082","0.0523","","","0.1181","0.1338","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016657","12.5175","0.0016","9.1555","0.0012","20.351","0.003","90","","96.342","0.002","90","","2318","0.5","140","5","140","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl isopropyl 2-(triphenylphosphoranyliden)malonate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C104 H108 O16 P4 -","4","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.1048","0.0565","","","0.1255","0.1396","","","","","","0.856","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016658","9.814","0.0007","15.889","0.002","15.404","0.002","90","","90.413","0.002","90","","2402","0.5","140","5","140","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl <i>tert</i>-butyl 2-(triphenylphosphoranyliden)malonate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C104 H108 O16 P4 -","4","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.0597","0.0516","","","0.1358","0.1444","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016659","8.9616","0.0007","10.3589","0.0008","14.5644","0.0011","97.388","0.002","107.705","0.003","105.338","0.002","1209.55","0.16","140","5","140","5","","","","","","","","4","P -1","-P 1","2","","ethyl <i>tert</i>-butyl 2-(triphenylphosphoranyliden)malonate","","- C27 H29 O4 P -","- C27 H29 O4 P -","- C54 H58 O8 P2 -","2","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.0672","0.0502","","","0.1251","0.1356","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016660","14.8903","0.0013","13.9907","0.0012","17.1961","0.0015","90","","90","","90","","3582.4","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(4-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(4,5-diazafluorene-9- one-κ^2^N,N')copper(II)","","- C42 H28 Cu N6 O8 S2 -","- C42 H28 Cu N6 O8 S2 -","- C168 H112 Cu4 N24 O32 S8 -","4","0.5","BG3074","Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun","Two novel mixed-ligand complexes containing organosulfonate ligands","Acta Crystallographica Section C","2008","64","7","m250","m253","10.1107/S0108270108016041","","","0.71073","MoKα","","0.0457","0.0332","","","0.0896","0.0981","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016661","9.2553","0.0006","15.6133","0.0009","8.1857","0.0005","90","","106.305","0.001","90","","1135.31","0.12","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[Diaquacadmium(II)]-bis(μ-4-aminonaphthalene-1-sulfonato)- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>] dihydrate]","","- C20 H24 Cd N2 O10 S2 -","- C20 H24 Cd N2 O10 S2 -","- C40 H48 Cd2 N4 O20 S4 -","2","0.5","BG3074","Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun","Two novel mixed-ligand complexes containing organosulfonate ligands","Acta Crystallographica Section C","2008","64","7","m250","m253","10.1107/S0108270108016041","","","0.71073","MoKα","","0.0207","0.0196","","","0.0516","0.0523","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016662","7.277","0.002","7.601","0.002","9.728","0.002","81.062","0.016","70.538","0.015","61.636","0.015","446.4","0.2","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","sodium strontium pentaborate","","- B5 Na3 O10 Sr -","- B5 Na3 O10 Sr -","- B10 Na6 O20 Sr2 -","2","1","FA3144","Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong","The new pentaborate Na~3~SrB~5~O~10~","Acta Crystallographica Section C","2008","64","7","i53","i56","10.1107/S0108270108016909","","","0.71073","MoKα","","0.0777","0.0504","","","0.0811","0.0889","","","","","","1.077","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016663","7.279","0.002","7.601","0.001","9.735","0.002","81.092","0.016","70.565","0.015","61.668","0.014","447.08","0.18","250","1","250","1","","","","","","","","4","P -1","-P 1","2","","sodium strontium pentaborate","","- B5 Na3 O10 Sr -","- B5 Na3 O10 Sr -","- B10 Na6 O20 Sr2 -","2","1","FA3144","Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong","The new pentaborate Na~3~SrB~5~O~10~","Acta Crystallographica Section C","2008","64","7","i53","i56","10.1107/S0108270108016909","","","0.71073","MoKα","","0.1014","0.0583","","","0.0894","0.1011","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016664","7.288","0.007","7.611","0.008","9.754","0.009","81.28","0.08","70.72","0.07","61.68","0.07","449.6","0.8","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","sodium strontium pentaborate","","- B5 Na3 O10 Sr -","- B5 Na3 O10 Sr -","- B10 Na6 O20 Sr2 -","2","1","FA3144","Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong","The new pentaborate Na~3~SrB~5~O~10~","Acta Crystallographica Section C","2008","64","7","i53","i56","10.1107/S0108270108016909","","","0.71073","MoKα","","0.1017","0.059","","","0.0911","0.1031","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016665","4.9292","0.0009","11.471","0.002","9.481","0.0017","90","","93.535","0.003","90","","535.06","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","vanadyl phosphate","dirubidium copper bis[vanadylV)] bis(phosphate)","","- Cu O12 P2 Rb2 V2 -","- Cu O12 P2 Rb2 V2 -","- Cu2 O24 P4 Rb4 V4 -","2","0.5","FA3147","Yakubovich, Olga V.; Steele, Ian M.; Dimitrova, Olga V.","A new type of mixed anionic framework in microporous rubidium copper vanadyl(V) phosphate, Rb~2~Cu(VO~2~)~2~(PO~4~)~2~","Acta Crystallographica Section C","2008","64","7","i62","i65","10.1107/S0108270108016454","","","0.71073","MoKα","","0.0203","0.0189","","","0.0475","0.0479","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016666","15.1641","0.0009","13.1653","0.0009","20.6761","0.0019","90","","102.753","0.001","90","","4025.9","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","poly[[(μ~2~-benzene-1,3-dicarboxylato){μ~2~-1,1'-[2,2'-oxybis(ethane-2,1- diyl)]di-1<i>H</i>-imidazole}cobalt(II)] monohydrate]","","- C18 H20 Co N4 O6 -","- C18 H20 Co N4 O6 -","- C144 H160 Co8 N32 O48 -","8","2","FA3149","Wei, Guo-Hua; Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Li, Shun-Li","A novel cobalt(II) coordination polymer with an unusual four-connected 4^2^.6^3^.8 topology","Acta Crystallographica Section C","2008","64","7","m267","m270","10.1107/S0108270108018921","","","0.71069","MoKα","","0.042","0.0347","","","0.0768","0.0806","","","","","","0.979","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016667","9.2498","0.0004","14.3","0.0009","16.0164","0.0011","95.19","0.005","96.805","0.004","107.336","0.004","1990.3","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2-(1H-imidazol-4-yl-κN^3^)ethylamine-κ^2^<i>N</i>]bis(tri- <i>tert</i>-butoxysilanethiolato-κS)cobalt(II)","","- C29 H63 Co N3 O6 S2 Si2 -","- C29 H63 Co N3 O6 S2 Si2 -","- C58 H126 Co2 N6 O12 S4 Si4 -","2","1","GA3092","Dołega, Anna; Baranowska, Katarzyna; Pladzyk, Agnieszka; Majcher, Katarzyna","Two isomorphous Zn^II^/Co^II^ complexes with tri-<i>tert</i>-butoxysilanethiol and histamine, and (4-hydroxymethyl-1<i>H</i>-imidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","Acta Crystallographica Section C","2008","64","7","m259","m263","10.1107/S0108270108017265","","","0.71073","MoKα","","0.0423","0.0341","","","0.0897","0.0928","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016668","9.2535","0.0003","14.3163","0.0005","15.9899","0.0006","95.086","0.003","96.805","0.003","107.337","0.003","1990.55","0.13","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2-(1H-imidazol-4-yl-κN^3^)ethylamine-κ^2^<i>N</i>]bis(tri- <i>tert</i>-butoxysilanethiolato-κS)zinc(II)","","- C29 H63 N3 O6 S2 Si2 Zn -","- C29 H63 N3 O6 S2 Si2 Zn -","- C58 H126 N6 O12 S4 Si4 Zn2 -","2","1","GA3092","Dołega, Anna; Baranowska, Katarzyna; Pladzyk, Agnieszka; Majcher, Katarzyna","Two isomorphous Zn^II^/Co^II^ complexes with tri-<i>tert</i>-butoxysilanethiol and histamine, and (4-hydroxymethyl-1<i>H</i>-imidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","Acta Crystallographica Section C","2008","64","7","m259","m263","10.1107/S0108270108017265","","","0.71073","MoKα","","0.0338","0.0306","","","0.0803","0.082","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016669","16.2546","0.0005","9.2094","0.0002","26.1831","0.0007","90","","91.874","0.002","90","","3917.39","0.18","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2-(1H-imidazol-4-yl-κN^3^)methanol]bis(tri-<i>tert</i>- butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","","- C28 H60 N2 O7 S2 Si2 Zn -","- C28 H60 N2 O7 S2 Si2 Zn -","- C112 H240 N8 O28 S8 Si8 Zn4 -","4","1","GA3092","Dołega, Anna; Baranowska, Katarzyna; Pladzyk, Agnieszka; Majcher, Katarzyna","Two isomorphous Zn^II^/Co^II^ complexes with tri-<i>tert</i>-butoxysilanethiol and histamine, and (4-hydroxymethyl-1<i>H</i>-imidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","Acta Crystallographica Section C","2008","64","7","m259","m263","10.1107/S0108270108017265","","","0.71073","MoKα","","0.0502","0.0412","","","0.1064","0.1117","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016670","18.37","0.0011","10.005","0.0013","7.9145","0.0014","90","","113.575","0.002","90","","1333.2","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-(2-aminophenyl)-1<i>H</i>-benzimidazol-3-ium dihydrogen phosphate","","- C13 H14 N3 O4 P -","- C13 H14 N3 O4 P -","- C52 H56 N12 O16 P4 -","4","1","GD3204","Shylaja, S.; Mahendra, K. N.; Varma, K. B. R.; Narasimhamurthy, T.; Rathore, R. S.","Hydrogen-bonded sheets in 2-(2-aminophenyl)-1<i>H</i>-benzimidazol-3-ium dihydrogen phosphate","Acta Crystallographica Section C","2008","64","7","o361","o363","10.1107/S010827010801456X","","","0.71073","MoKα","","0.0404","0.0349","","","0.0849","0.0903","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016671","5.8508","0.0002","13.0999","0.0004","15.4187","0.0005","90","","90","","90","","1181.76","0.07","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate","","- C6 H12 N2 O6 S3 -","- C6 H12 N2 O6 S3 -","- C24 H48 N8 O24 S12 -","4","1","GD3216","Corrêa, Rodrigo S.; Martins, Felipe T.; Ellena, Javier; Santos, Marcelo H. dos; Doriguetto, Antonio C.","Hydrogen bonding in 2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate","Acta Crystallographica Section C","2008","64","7","o395","o397","10.1107/S0108270108017502","","","0.71073","MoKα","","","0.0396","","","","0.106","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016672","6.6222","0.0002","9.4831","0.0002","20.5543","0.0007","91.3625","0.0009","98.9233","0.0012","94.5506","0.0014","1270.29","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","catena-poly[[[heptaaqualanthanum(III)]-μ-1,3-dioxo-2-oxa-1H,3H-phenalene- 6,7-dicarboxylato-κ^2^O^6^:O^7^] hemi(4,8-dicarboxynaphthalene-1,5-dicarboxylate) dihydrate]","","- C21 H25 La O20 -","- C21 H25 La O20 -","- C42 H50 La2 O40 -","2","1","GD3220","Koner, Rajesh; Goldberg, Israel","The first coordination polymer of lanthanum(III) with a naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride derivative","Acta Crystallographica Section C","2008","64","7","m264","m266","10.1107/S0108270108017691","","","0.71073","MoKα","","0.029","0.0253","","","0.0558","0.0579","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016673","11.5945","0.0005","8.6412","0.0006","23.1522","0.0018","90","","92.325","0.007","90","","2317.7","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-Dimethylamino-2-(1<i>H</i>-indol-3-ylcarbonyl)acrylonitrile","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","GG3169","Galvez, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","(<i>E</i>)-3-Dimethylamino-2-(1<i>H</i>-indol-3-ylcarbonyl)acrylonitrile: a chain of edge-fused rings built from a three-centre N—H···(N,O) hydrogen bond","Acta Crystallographica Section C","2008","64","7","o385","o387","10.1107/S0108270108016417","","","0.71073","MoKα","","0.1294","0.067","","","0.1688","0.2254","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016674","12.2439","0.0017","7.4543","0.0008","21.973","0.002","90","","94.282","0.01","90","","1999.9","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Hydroxypropyl)isoindoline-1,3-dione","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C88 H88 N8 O24 -","8","2","HJ3075","Wang, Honghao; Bache, Chris J.; Schwalbe, Carl H.","2-(3-Hydroxypropyl)isoindoline-1,3-dione: competition among hydrogen-bond acceptors","Acta Crystallographica Section C","2008","64","7","o402","o404","10.1107/S0108270108016363","","","0.71073","MoKα","","0.1414","0.0426","","","0.0975","0.124","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016675","12.842","0.007","15.153","0.009","7.572","0.004","90","","91.16","0.04","90","","1473.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(2,3-dimethylphenyl)carbamoyl]benzenesulfonamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","HJ3076","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(2,3-Dimethylphenyl)carbamoyl]benzenesulfonamide and the 3,4- and 2,6-dimethylphenyl analogues","Acta Crystallographica Section C","2008","64","7","o367","o371","10.1107/S0108270108016314","","","0.71073","MoKα","","0.069","0.043","","","0.1","0.114","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016676","11.597","0.009","7.45","0.003","16.324","0.013","90","","97.29","0.03","90","","1399","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(3,4-dimethylphenyl)carbamoyl]benzenesulfonamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","HJ3076","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(2,3-Dimethylphenyl)carbamoyl]benzenesulfonamide and the 3,4- and 2,6-dimethylphenyl analogues","Acta Crystallographica Section C","2008","64","7","o367","o371","10.1107/S0108270108016314","","","0.71073","MoKα","","0.08","0.055","","","0.136","0.154","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016677","7.968","0.003","8.509","0.005","21.51","0.011","84.3","0.02","82.46","0.03","88.66","0.03","1438.5","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-[(2,6-dimethylphenyl)carbamoyl]benzenesulfonamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","2","HJ3076","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(2,3-Dimethylphenyl)carbamoyl]benzenesulfonamide and the 3,4- and 2,6-dimethylphenyl analogues","Acta Crystallographica Section C","2008","64","7","o367","o371","10.1107/S0108270108016314","","","0.71073","MoKα","","0.101","0.05","","","0.109","0.134","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016678","7.2904","0.0008","13.896","0.002","12.5021","0.0011","90","","96.476","0.007","90","","1258.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,6-Dimethoxy-2-phthalimidopyrimidine","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","HJ3078","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","4,6-Dimethoxy-2-phthalimidopyrimidine: sheets built from π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","7","o392","o394","10.1107/S0108270108017356","","","0.71073","MoKα","","0.0644","0.0418","","","0.0886","0.1005","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016679","6.3588","0.0007","6.9307","0.0009","7.0681","0.001","110.282","0.003","90.823","0.003","106.585","0.002","277.8","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,4'-(<i>p</i>-phenylene)bipyridazine","","- C14 H10 N4 -","- C14 H10 N4 -","- C14 H10 N4 -","1","0.5","HJ3079","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(II) bromide and copper(II) acetate complexes of 4,4'-(<i>p</i>-phenylene)bipyridazine","Acta Crystallographica Section C","2008","64","7","m254","m258","10.1107/S0108270108017666","","","0.71073","MoKα","","0.062","0.0502","","","0.1293","0.1372","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016680","4.1377","0.0002","12.5407","0.0007","13.5301","0.0008","90","","93.786","0.004","90","","700.54","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[dibromidocopper(II)]-μ~2~-4,4'-(<i>p</i>-phenylene)bipyridazine- κ^2^N^2^:N^2'^]","","- C14 H10 Br2 Cu N4 -","- C14 H10 Br2 Cu N4 -","- C28 H20 Br4 Cu2 N8 -","2","0.5","HJ3079","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(II) bromide and copper(II) acetate complexes of 4,4'-(<i>p</i>-phenylene)bipyridazine","Acta Crystallographica Section C","2008","64","7","m254","m258","10.1107/S0108270108017666","","","0.71073","MoKα","","0.0474","0.0311","","","0.0649","0.0695","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016681","7.6349","0.0008","8.0203","0.0008","13.9312","0.001","104.601","0.002","103.993","0.002","90.123","0.003","799.21","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[[tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)]- μ~2~-4,4'-(<i>p</i>-phenylene)bipyridazine-κ^2^N^1^:N^1'^] chloroform disolvate]","","- C24 H24 Cl6 Cu2 N4 O8 -","- C24 H24 Cl6 Cu2 N4 O8 -","- C24 H24 Cl6 Cu2 N4 O8 -","1","0.5","HJ3079","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(II) bromide and copper(II) acetate complexes of 4,4'-(<i>p</i>-phenylene)bipyridazine","Acta Crystallographica Section C","2008","64","7","m254","m258","10.1107/S0108270108017666","","","0.71073","MoKα","","0.0531","0.0402","","","0.0862","0.0899","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016682","10.1122","0.0005","18.9068","0.0007","13.3503","0.0005","90","","112.241","0.002","90","","2362.53","0.17","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[bis[μ3-adamantane-1,3-bis(1,2,4-triazol-4-yl)-κ3N:N':N''] -bis(μ4-benzene-1,3,5-tricarboxylato-κ4O:O':O'':O''') -bis(μ3-hydroxido)tetracopper(II) dihydrate]","","- C46 H48 Cu4 N12 O16 -","- C46 H48 Cu4 N12 O16 -","- C92 H96 Cu8 N24 O32 -","2","0.5","JZ3138","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Sieler, Joachim; Domasevitch, Konstantin V.","A dihydroxidotetracopper(II) framework supported by 4,4'-(adamantane-1,3-diyl)bis(1,2,4-triazole) and benzene-1,3,5-tricarboxylate bridges","Acta Crystallographica Section C","2008","64","7","m246","m249","10.1107/S0108270108016545","","","0.71073","MoKα","","0.0355","0.0295","","","0.0787","0.0801","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016683","13.3292","0.0005","13.3292","0.0005","41.668","0.002","90","","90","","90","","7403.1","0.5","153","2","153","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","bis[tris(1,10-phenantroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)","","- C76 H48 Cl2 Fe N16 O8 Ru2 S4 -","- C76 H48 Cl2 Fe N16 O8 Ru2 S4 -","- C304 H192 Cl8 Fe4 N64 O32 Ru8 S16 -","4","0.5","LN3097","Ghazzali, Mohamed; Öhrström, Lars; Lincoln, Per; Langer, Vratislav","A three-dimensional net of Δ-tris(1,10-phenanthroline)ruthenium(II) in the dual-metal self-assembly of bis[tris(1,10-phenanthroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)","Acta Crystallographica Section C","2008","64","7","m243","m245","10.1107/S0108270108015849","","","0.71073","MoKα","","0.0783","0.0609","","","0.1864","0.2001","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016684","10.2295","0.0002","8.0212","0.0001","32.1141","0.0005","90","","90","","90","","2635.05","0.07","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0621","0.0458","","","0.1276","0.1436","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016685","10.044","0.0011","7.899","0.0008","32.011","0.003","90","","90","","90","","2539.7","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0466","0.0384","","","0.0986","0.1026","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016686","10.0654","0.0005","7.9069","0.0004","31.9971","0.0017","90","","90","","90","","2546.5","0.2","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0436","0.0377","","","0.0915","0.0937","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016687","10.0248","0.001","7.8879","0.0008","32.162","0.003","90","","90","","90","","2543.2","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0368","0.0323","","","0.0826","0.0851","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016688","14.8046","0.0012","12.0095","0.0012","18.972","0.0016","90","","109.499","0.008","90","","3179.7","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethyl 6-[1,2-bis(methoxycarbonyl)-2-(triphenyl-λ^5^- phosphanylidene)ethylideneamino]-2-methylsulfanyl-3,4-pyridinedicarboxylate","","- C34 H31 N2 O8 P S -","- C34 H31 N2 O8 P S -","- C136 H124 N8 O32 P4 S4 -","4","1","SK3237","Orozco, Fabián; Low, John N.; Cobo, Justo; Glidewell, Christopher","Dimethyl 6-[1,2-bis(methoxycarbonyl)-2-(triphenyl-λ^5^-phosphanylidene)ethylideneamino]-2-methylsulfanyl-3,4-pyridinedicarboxylate forms a chain of hydrogen-bonded rings","Acta Crystallographica Section C","2008","64","7","o379","o381","10.1107/S0108270108016429","","","0.71073","MoKα","","0.1043","0.0553","","","0.0884","0.1043","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016689","9.8184","0.0005","7.8683","0.0007","15.5719","0.0016","90","","100.309","0.007","90","","1183.57","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine","","- C12 H13 Cl N4 -","- C12 H13 Cl N4 -","- C48 H52 Cl4 N16 -","4","1","SK3241","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","2-Amino-4-chloro-6-[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine: formation <i>versus</i> fragmentation of hydrogen-bonded chains of edge-fused <i>R</i>~2~^2^(8) rings in 4,6-disubstituted 2-aminopyrimidines","Acta Crystallographica Section C","2008","64","7","o376","o378","10.1107/S0108270108016405","","","0.71073","MoKα","","0.0813","0.0481","","","0.1073","0.1281","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016690","9.0213","0.0007","20.288","0.0018","10.3932","0.0006","90","","90.245","0.005","90","","1902.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-Ethyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinolin-2-iminium 4-toluenesulfonate","","- C20 H20 N4 O4 S -","- C20 H20 N4 O4 S -","- C80 H80 N16 O16 S4 -","4","1","SK3244","Trilleras, Jorge; Quiroga, Jairo; Low, John N.; Cobo, Justo; Glidewell, Christopher","10-Ethyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium 4-toluenesulfonate: a polarized electronic structure in the cation and a hydrogen-bonded sheet structure","Acta Crystallographica Section C","2008","64","7","o382","o384","10.1107/S0108270108016995","","","0.71073","MoKα","","0.0676","0.045","","","0.1081","0.1267","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016691","9.5665","0.0019","7.6553","0.0015","11.031","0.002","90","","90.77","0.03","90","","807.8","0.3","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-acetylindole","3-acetylindole","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","SK3245","Hachuła, Barbara; Pyzik, Aleksandra; Nowak, Maria; Kusz, Joachim","Low-temperature study of 3-acetylindole at 110K","Acta Crystallographica Section C","2008","64","7","o398","o401","10.1107/S0108270108017733","","","0.71073","MoKα","","0.0712","0.0477","","","0.1119","0.1168","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016692","6.9287","0.001","7.2735","0.0013","7.3503","0.0013","90","","90","","90","","370.42","0.11","293","2","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Sodium iodine(V) oxyfluoride","","- F2 I Na O2 -","- F2 I Na O2 -","- F8 I4 Na4 O8 -","4","0.25","SQ3127","Laval, Jean-Paul; Jennene Boukharrata, Nefla","Sodium iodine(V) oxyfluoride, NaIO~2~F~2~","Acta Crystallographica Section C","2008","64","7","i47","i49","10.1107/S0108270108007087","","","0.71073","MoKα","","0.0105","0.0098","","","0.023","0.0233","","","","","","0.745","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016693","5.774","0.0005","22.062","0.005","5.5","0.0012","90","","90","","90","","700.6","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","scandium tellurium trioxide fluoride","","- F O3 Sc Te -","- F O3 Sc Te -","- F8 O24 Sc8 Te8 -","8","1","SQ3138","Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe","Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F","Acta Crystallographica Section C","2008","64","7","i57","i61","10.1107/S0108270108017150","","","0.71073","MoKα","","0.0266","0.018","","","0.033","0.0351","","","","","","1.179","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016694","7.9395","0.0011","5.3867","0.0008","8.0529","0.0012","90","","91.058","0.013","90","","344.35","0.09","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","indium tellurium trioxide fluoride","","- F In O3 Te -","- F In O3 Te -","- F4 In4 O12 Te4 -","4","1","SQ3138","Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe","Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F","Acta Crystallographica Section C","2008","64","7","i57","i61","10.1107/S0108270108017150","","","0.71073","MoKα","","0.0356","0.029","","","0.0817","0.0855","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016695","5.3372","0.001","10.15","0.002","8.535","0.002","90","","90.34","0.03","90","","462.35","0.17","296","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium barium hexafluoridoaluminate","","- Al Ba F6 Li -","- Al Ba F6 Li -","- Al4 Ba4 F24 Li4 -","4","1","SQ3143","Merkulov, Alexander A.; Isaenko, Ludmila I.; Lobanov, Sergey I.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.","LiBaAlF~6~ and the crystal chemistry of Li<i>A</i>^II^<i>B</i>^III^F~6~ phases","Acta Crystallographica Section C","2008","64","7","i66","i68","10.1107/S0108270108017538","","","0.71073","MoKα","","0.0146","0.0141","","","0.035","0.0352","","","","","","1.174","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016696","21.1979","0.0008","21.1979","0.0008","21.1979","0.0008","90","","90","","90","","9525.3","0.6","295","2","295","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Icosa Cerium nonadeca Magnesium henoctaconta Zinc","Icosacerium nonadecamagnesium henoctacontazinc","","- Ce20 Mg19 Zn81 -","- Ce20 Mg19 Zn81 -","- Ce80 Mg76 Zn324 -","4","0.0416667","SQ3145","Pavlyuk, Volodymyr; Solokha, Pavlo; Zelinska, Oksana; Paul-Boncour, Valerie; Nowik-Zajac, Anna","Ce~20~Mg~19~Zn~81~: a new structure type with a giant cubic cell","Acta Crystallographica Section C","2008","64","7","i50","i52","10.1107/S0108270108015862","","","0.71073","MoKα","","0.0535","0.0437","","","0.0985","0.1007","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016697","21.447","0.004","11.226","0.002","28.221","0.006","90","","103.57","0.02","90","","6605","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1',3',3'-trimethyl-1',3'-dihydrospiropyran-6-carbaldehyde","1',3',3'-trimethylspiro[2'H-1-benzopyran-2,2'-indoline]-6-carbaldehyde","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C320 H304 N16 O32 -","16","2","SQ3147","Zouev, I.; Kaftory, M.","Conformational dimorphism of the spiropyran 1',3',3'-trimethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]-6-carbaldehyde)","Acta Crystallographica Section C","2008","64","7","o372","o375","10.1107/S0108270108016430","","","0.71073","MoKα","","0.1353","0.0536","","","0.136","0.169","","","","","","0.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016698","11.699","0.002","11.692","0.002","24.406","0.005","90","","102.13","0.03","90","","3263.8","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","1',3',3'-trimethyl-1',3'-dihydrospiropyran-6-carbaldehyde","1',3',3'-trimethylspiro[2'H-1-benzopyran-2,2'-indoline]-6-carbaldehyde","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","SQ3147","Zouev, I.; Kaftory, M.","Conformational dimorphism of the spiropyran 1',3',3'-trimethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]-6-carbaldehyde)","Acta Crystallographica Section C","2008","64","7","o372","o375","10.1107/S0108270108016430","","","0.71073","MoKα","","0.0671","0.036","","","0.0825","0.0912","","","","","","0.95","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016699","12.4165","0.0003","17.7709","0.0005","7.9618","0.0002","90","","94.569","0.001","90","","1751.21","0.08","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","SU3024","Tagg, Tei; McAdam, C. John; Robinson, Brian H.; Simpson, Jim","<i>N</i>-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide and <i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide","Acta Crystallographica Section C","2008","64","7","o388","o391","10.1107/S0108270108016120","","","0.71073","MoKα","","0.0525","0.0369","","","0.0895","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016700","7.3476","0.0004","9.3218","0.0005","12.2905","0.0006","82.039","0.003","84.205","0.002","74.937","0.003","803.19","0.07","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-bromoethyl)-4-piperidino-1,8-naphthalimide","","- C19 H19 Br N2 O2 -","- C19 H19 Br N2 O2 -","- C38 H38 Br2 N4 O4 -","2","1","SU3024","Tagg, Tei; McAdam, C. John; Robinson, Brian H.; Simpson, Jim","<i>N</i>-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide and <i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide","Acta Crystallographica Section C","2008","64","7","o388","o391","10.1107/S0108270108016120","","","0.71073","MoKα","","0.0268","0.0249","","","0.0665","0.0673","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016701","10.806","0.004","7.984","0.0013","11.0107","0.0008","90","","109.742","0.002","90","","894.1","0.4","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C28 H38 N6 O18 -","2","1","BM3053","Dedola, Simone; Nepogodiev, Sergey A.; Hughes, David L.; Field, Robert A.","2,3,4,6-Tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranosyl azide","Acta Crystallographica Section C","2008","64","8","o445","o446","10.1107/S0108270108020702","","","0.71073","MoKα","","0.062","0.0392","","","0.0819","0.087","","","","","","0.901","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016702","10.1753","0.0003","30.8461","0.0007","10.3671","0.0002","90","","99.966","0.003","90","","3204.8","0.14","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","quinacrine 5-sulfosalicylate dihydrate","6-chloro-9-[(4-diethylammonio-2-methylbutyl)amino]-2-methoxyacridinium 3-carboxylato-4-hydroxybenzenesulfonate dihydrate","","- C30 H40 Cl N3 O9 S -","- C30 H40 Cl N3 O9 S -","- C120 H160 Cl4 N12 O36 S4 -","4","1","DN3093","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded framework structure in the 1:1 proton-transfer compound of the drug quinacrine with 5-sulfosalicylic acid","Acta Crystallographica Section C","2008","64","8","o428","o430","10.1107/S0108270108020313","","","0.71073","MoKα","","0.0778","0.0399","","","0.0909","0.1001","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016703","17.0144","0.0008","18.2738","0.0009","17.1713","0.0009","90","","90","","90","","5338.9","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","cyclo-bis[μ~2~-bis(diphenylphosphino)amine]di-μ~3~-sulfanido-di-μ~2~- sulfanido-tetracopper(I) methanol disolvate","","- C50 H54 Cu4 N2 O2 P4 S4 -","- C50 H50 Cu4 N2 O2 P4 S4 -","- C200 H200 Cu16 N8 O8 P16 S16 -","4","0.5","EM3015","Zhao, Wen-Na; Han, Lei; Luo, Cheng-Cai","A novel tetranuclear copper(I) sulfanide complex with bis(diphenylphosphino)amine","Acta Crystallographica Section C","2008","64","8","m280","m282","10.1107/S0108270108018404","","","0.71073","MoKα","","0.148","0.0864","","","0.1495","0.1742","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016704","10.3799","0.0002","11.7642","0.0002","14.5275","0.0003","90","","109.478","0.0008","90","","1672.44","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate","","- C17 H20 O8 -","- C17 H20 O8 -","- C68 H80 O32 -","4","1","FA3145","Hathaway, Bruce A.; Kilgore, Uriah J.; Bond, Marcus R.","1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate","Acta Crystallographica Section C","2008","64","8","o456","o458","10.1107/S0108270108021392","","","0.71073","MoKα","","0.0662","0.0417","","","0.0979","0.1079","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016705","10.4985","0.0002","11.8828","0.0002","14.754","0.0003","90","","109.533","0.0009","90","","1734.66","0.06","300","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O8 -","- C17 H20 O8 -","- C68 H80 O32 -","4","1","FA3145","Hathaway, Bruce A.; Kilgore, Uriah J.; Bond, Marcus R.","1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate","Acta Crystallographica Section C","2008","64","8","o456","o458","10.1107/S0108270108021392","","","0.71073","MoKα","","0.0927","0.0472","","","0.1252","0.1437","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016706","15.1941","0.0014","5.5843","0.0005","12.962","0.0012","90","","91.693","0.005","90","","1099.33","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-nitro-2-(trichloromethyl)quinoline","","- C10 H5 Cl3 N2 O2 -","- C10 H5 Cl3 N2 O2 -","- C40 H20 Cl12 N8 O8 -","4","1","FA3148","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Nitrated isomers of 2-(trichloromethyl)quinoline","Acta Crystallographica Section C","2008","64","8","o441","o444","10.1107/S0108270108020374","","","0.71073","MoKα","","0.0454","0.0296","","","0.0712","0.0827","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016707","16.764","0.003","5.5177","0.0011","12.313","0.003","90","","104.73","0.03","90","","1101.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-nitro-2-(trichloromethyl)quinoline","","- C10 H5 Cl3 N2 O2 -","- C10 H5 Cl3 N2 O2 -","- C40 H20 Cl12 N8 O8 -","4","1","FA3148","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Nitrated isomers of 2-(trichloromethyl)quinoline","Acta Crystallographica Section C","2008","64","8","o441","o444","10.1107/S0108270108020374","","","0.71073","MoKα","","0.0568","0.0305","","","0.0779","0.0872","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016708","7.7551","0.0006","11.3903","0.0009","13.6023","0.0011","69.927","0.005","87.071","0.005","78.391","0.005","1105.25","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-nitro-2-(trichloromethyl)quinoline","","- C10 H5 Cl3 N2 O2 -","- C10 H5 Cl3 N2 O2 -","- C40 H20 Cl12 N8 O8 -","4","2","FA3148","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Nitrated isomers of 2-(trichloromethyl)quinoline","Acta Crystallographica Section C","2008","64","8","o441","o444","10.1107/S0108270108020374","","","0.71073","MoKα","","0.0272","0.0224","","","0.0581","0.0619","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016709","16.937","0.0004","6.8184","0.0016","16.577","0.0004","90","","97.667","0.004","90","","1897.3","0.5","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,<i>syn</i>-7-Bis(trimethylsilyl)-5-norbornene-<i>endo</i>-2,3-dicarboxylic acid","","- C15 H26 O4 Si2 -","- C15 H26 O4 Si2 -","- C60 H104 O16 Si8 -","4","1","FA3150","Begum, Noor Shahina; Vasundhara, D. E.; Girija, C. R.; Nagendrappa, Gopalpur","5,7-<i>syn</i>-Bis(trimethylsilyl)-5-norbornene-2,3-<i>endo</i>-dicarboxylic acid: a rare co-existence of dimeric and catemeric synthons","Acta Crystallographica Section C","2008","64","8","o423","o425","10.1107/S010827010801857X","","","0.71073","MoKα","","","0.0677","","","","0.1824","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016710","12.4951","0.0002","13.3839","0.0002","14.9579","0.0002","110.935","0.0008","103.176","0.0008","106.667","0.0008","2079.97","0.06","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-anthracene-9-carboxylato)- κ^4^<i>O</i>:<i>O</i>';κ^3^O,O':O';κ^3^O:O,O'- bis[(anthracene-9-carboxylato-κ^2^O,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')erbium(III)]","","- C114 H70 Er2 N4 O12 -","- C114 H70 Er2 N4 O12 -","- C114 H70 Er2 N4 O12 -","1","0.5","GD3217","Liu, Chun-Sen; Guo, Liang-Qi; Yan, Li-Fen; Wang, Jun-Jie","Tetrakis(μ-anthracene-9-carboxylato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(anthracene-9-carboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)]: effects of a noncoordinating anthracene ligand ring system on the final structure of a coordination complex","Acta Crystallographica Section C","2008","64","8","m292","m295","10.1107/S0108270108019975","","","0.71073","MoKα","","0.0245","0.0202","","","0.0477","0.0487","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016711","6.4845","0.0002","5.2362","0.0002","17.3497","0.0005","90","","90.152","0.002","90","","589.09","0.03","293","","293","","","","","","","","","6","I 1 2 1","I 2y","5","rock salt urea water","Rock salt‒urea‒water (1/1/1) (NaCl.CH~4~N~2~O.H~2~O)","","- C H6 Cl N2 Na O2 -","- C H6 Cl N2 Na O2 -","- C4 H24 Cl4 N8 Na4 O8 -","4","1","GD3223","Müller, S.; Schäfer, O.; Keller, E.","Rock salt‒urea‒water (1/1/1) at 293 and 117K","Acta Crystallographica Section C","2008","64","8","m300","m304","10.1107/S0108270108022427","","","0.71073","MoKα","","0.0315","0.0311","","","0.085","0.0852","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016712","6.4374","0.0002","5.1744","0.0002","17.2998","0.0005","90","","90","","90","","576.25","0.03","117","","117","","","","","","","","","6","P n 21 m","P -2 -2bc","31","rocksalt urea water","Rock salt‒urea‒water (1/1/1) (NaCl.CH~4~N~2~O.H~2~O)","","- C H6 Cl N2 Na O2 -","- C H6 Cl N2 Na O2 -","- C4 H24 Cl4 N8 Na4 O8 -","4","1","GD3223","Müller, S.; Schäfer, O.; Keller, E.","Rock salt‒urea‒water (1/1/1) at 293 and 117K","Acta Crystallographica Section C","2008","64","8","m300","m304","10.1107/S0108270108022427","","","0.71073","MoKα","","0.0477","0.0339","","","0.0819","0.0859","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016713","15.5892","0.0005","15.5892","0.0005","5.6424","0.0003","90","","90","","120","","1187.52","0.08","110","1","110","1","","","","","","","","3","P 3","P 3","143","tripivaloylmethane","4-(2,2-dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione","","- C16 H28 O3 -","- C16 H28 O3 -","- C48 H84 O9 -","3","1","GD3228","Stilinović, Vladimir; Kaitner, Branko","Partial ordering of tripivaloylmethane at 110K","Acta Crystallographica Section C","2008","64","8","o450","o452","10.1107/S0108270108022129","","","0.71073","MoKα","","","0.0545","","","","0.1327","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016714","11.9764","0.0004","14.3836","0.0003","6.22447","0.00016","90","","90","","90","","1072.25","0.05","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Rubidium sodium (+)-(2R,3R)-tartrate tetrahydrate","","- C4 H12 Na O10 Rb -","- C4 H12 Na O10 Rb -","- C16 H48 Na4 O40 Rb4 -","4","1","GD3231","Lutz, Martin; Schreurs, Antoine M. M.","Was Bijvoet right? Sodium rubidium (+)-tartrate tetrahydrate revisited","Acta Crystallographica Section C","2008","64","8","m296","m299","10.1107/S0108270108022415","","","0.71073","MoKα","","0.0229","0.0188","","","0.0397","0.041","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016715","7.7859","0.001","7.8937","0.001","16.13","0.002","81.979","0.007","77.608","0.008","80.234","0.008","948.7","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","cyclotridecanone 2',4'-dinitrophenylhydrazone","cyclotridecanone 2,4-dinitrophenylhydrazone","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C38 H56 N8 O8 -","2","1","GG3158","Valente, Edward J.; Pawar, Diwaker M.; Fronczek, Frank R.; Noe, Eric A.","Cyclotridecanone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2008","64","8","o447","o449","10.1107/S010827010802012X","","","0.71073","MoKα","","0.079","0.046","","","0.087","0.099","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016716","7.1097","0.0002","14.7372","0.0005","22.0732","0.0007","90","","90","","90","","2312.77","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>S</i>,4<i>R</i>,7<i>S</i>)- 3-(4-amino-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)- 1-hydroxymethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C88 H104 N40 O32 -","8","2","GG3163","Pasternak, Anna; Kierzek, Ryszard; Gdaniec, Zofia; Gdaniec, Maria","A locked derivative of 8-aza-7-deazaadenosine","Acta Crystallographica Section C","2008","64","8","o467","o470","10.1107/S0108270108021628","","","0.71073","MoKα","","0.0499","0.0267","","","0.0476","0.0561","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016717","9.5326","0.0004","6.6602","0.0002","10.0167","0.0004","90","","114.166","0.0017","90","","580.22","0.04","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Tetraaquadichloridocobalt(II)‒piperazine-2,5-dione (1/1)","","- C4 H14 Cl2 Co N2 O6 -","- C4 H14 Cl2 Co N2 O6 -","- C8 H28 Cl4 Co2 N4 O12 -","2","0.5","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0244","0.0205","","","0.0508","0.0531","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016718","9.4844","0.0004","6.6616","0.0003","9.9975","0.0004","90","","114.629","0.0018","90","","574.19","0.04","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Tetraaquadichloridonickel(II)‒piperazine-2,5-dione (1/1)","","- C4 H14 Cl2 N2 Ni O6 -","- C4 H14 Cl2 N2 Ni O6 -","- C8 H28 Cl4 N4 Ni2 O12 -","2","0.5","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.021","0.0189","","","0.045","0.0461","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016719","15.224","0.003","3.9694","0.0008","15.444","0.004","90","","94.73","0.03","90","","930.1","0.4","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-poly[[[<i>trans</i>-diaquacopper(II)]-di-μ-chlorido] piperazine-2,5-dione solvate]","","- C4 H10 Cl2 Cu N2 O4 -","- C4 H10 Cl2 Cu N2 O4 -","- C16 H40 Cl8 Cu4 N8 O16 -","4","0.5","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0873","0.0583","","","0.1515","0.164","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016720","9.6276","0.0001","14.718","0.0002","5.2468","0.0004","90","","90","","90","","743.47","0.06","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","silver(I) nitrate‒piperazine-2.5-dione (1/1)","","- C8 H12 Ag2 N6 O10 -","- C8 H12 Ag2 N6 O10 -","- C16 H24 Ag4 N12 O20 -","2","0.25","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0189","0.017","","","0.0428","0.044","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016721","7.712","0.0007","7.919","0.0008","9.989","0.003","74.624","0.014","82.576","0.016","85.663","0.009","582.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","dimethyl 2-(dimethylamino)terephthalate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C24 H30 N2 O8 -","2","1","GZ3150","Centore, Roberto; Fusco, Sandra; Peluso, Andrea; Carotenuto, Maurizio; Tuzi, Angela","Strong overcrowding in dimethyl 2-(dimethylamino)terephthalate","Acta Crystallographica Section C","2008","64","8","o420","o422","10.1107/S0108270108020003","","","0.71073","MoKα","","0.0626","0.0403","","","0.1002","0.1094","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016722","37.829","0.009","6.9457","0.0016","22.772","0.005","90","","125.607","0.004","90","","4864.6","1.9","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[[hexaaquabis[μ~3~-3,5-dicarboxylatopyrazolato- κ^5^O^3^,N^2^:N^1^,O^5^:O^5'^](μ~2~-oxalato- κ^4^O^1^,O^2^:O^1'^,O^2'^)copper(II)dierbium(III)] trihydrate]","","- C12 H20 Cu Er2 N4 O21 -","- C12 H20 Cu Er2 N4 O21 -","- C96 H160 Cu8 Er16 N32 O168 -","8","1","HJ3077","Wang, Yan; Shen, Ying-Zhong","A novel three-dimensional heterometallic coordination polymer: poly[[hexaaquabis[μ~3~-3,5-dicarboxylatopyrazolato-κ^5^<i>O</i>^3^,<i>N</i>^2^:<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^5'^](μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)copper(II)dierbium(III)] trihydrate]","Acta Crystallographica Section C","2008","64","8","m283","m285","10.1107/S0108270108017630","","","0.71073","MoKα","","0.0743","0.0463","","","0.0733","0.08","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016723","19.9633","0.0006","5.2733","0.0002","11.239","0.0004","90","","106.109","0.002","90","","1136.7","0.07","296","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","7-Deaza-2'-deoxyinosine","7-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-3,7-dihydro-4<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidin-4-one","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","LN3105","Seela, Frank; Ming, Xin; Eickmeier, Henning; Reuter, Hans","7-Deaza-2'-deoxyinosine: a nucleoside showing ambiguous base-pairing properties against the four canonical DNA constituents","Acta Crystallographica Section C","2008","64","8","o417","o419","10.1107/S0108270108019835","","","0.71073","MoKα","","0.0329","0.0321","","","0.0919","0.094","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016724","7.7473","0.0016","12.35","0.003","17.211","0.004","87.487","0.005","82.227","0.005","80.247","0.005","1607.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>-[(2-Phenyl-2H-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2H-1,2,3- triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4- yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine","","- C33 H33 N13 -","- C33 H33 N13 -","- C66 H66 N26 -","2","1","SF3079","Feng, Yue; Liu, Gang; Yue, Fan; Wang, Ji-De","<i>N</i>-[(2-Phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2<i>H</i>-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine","Acta Crystallographica Section C","2008","64","8","o426","o427","10.1107/S0108270108019033","","","0.71073","MoKα","","0.122","0.0505","","","0.129","0.1856","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016725","13.4267","0.0009","20.6647","0.0007","11.0684","0.0005","90","","119.02","0.004","90","","2685.5","0.3","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzyloxy-1H-benzotriazole-1-carboxamide","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C112 H96 N32 O16 -","8","2","SF3081","Dilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen","<i>N</i>-Benzyloxy-1<i>H</i>-benzotriazole-1-carboxamide: a hydrogen-bonded tetramer based upon a rare <i>R</i>~4~^4^(20) structural motif","Acta Crystallographica Section C","2008","64","8","o434","o436","10.1107/S0108270108018003","","","0.71073","MoKα","","0.0786","0.0434","","","0.1133","0.1376","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016726","7.6903","0.0004","12.8591","0.0007","10.8707","0.0006","90","","107.941","0.001","90","","1022.73","0.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[bis(methanol-κO)bis(thiocyanato-κN)iron(II)]- μ-pyridine-4-carbaldehyde azine-κ^2^N:N']","","- C16 H18 Fe N6 O2 S2 -","- C16 H18 Fe N6 O2 S2 -","- C32 H36 Fe2 N12 O4 S4 -","2","0.5","SK3226","Öhrström, Lars; Langer, Vratislav; Ghazzali, Mohamed","An interpenetrating primitive cubic net formed by hydrogen bonds and coordination bonds in <i>catena</i>-poly[[bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)iron(II)]-μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2008","64","8","m277","m279","10.1107/S0108270108018039","","","0.71073","MoKα","","0.0558","0.0349","","","0.0767","0.0843","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016727","9.8858","0.0004","10.533","0.0004","30.3073","0.0013","90","","94.05","0.004","90","","3147.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thioacetanilide","N-phenylthioacetamide","","- C8 H9 N S -","- C8 H9 N S -","- C128 H144 N16 S16 -","16","4","SK3238","Michta, Anna; Chełmecka, Elżbieta; Nowak, Maria; Kusz, Joachim","Thioacetanilide at 120K","Acta Crystallographica Section C","2008","64","8","o411","o413","10.1107/S0108270108017940","","","0.71073","MoKα","","0.0504","0.0329","","","0.0907","0.0935","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016728","14.951","0.003","6.0452","0.0009","22.935","0.004","90","","101.201","0.017","90","","2033.4","0.6","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-3-benzoyl-2-methylpropionic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C88 H96 O24 -","8","2","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.1268","0.0533","","","0.1082","0.1387","","","","","","0.949","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016729","15.01","0.005","6.697","0.002","16.017","0.005","90","","99.21","0.03","90","","1589.3","0.9","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","morpholinium <i>rac</i>-3-benzoyl-2-methylpropionate monohydrate","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C60 H92 N4 O20 -","4","1","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.1299","0.0549","","","0.1001","0.1275","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016730","25.759","0.006","10.172","0.002","9.776","0.002","90","","96.34","0.02","90","","2545.8","0.9","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","pyridinium [hydrogen bis(<i>rac</i>-3-benzoyl-2-methylpropionate)]","","- C27 H29 N O6 -","- C27 H29 N O6 -","- C108 H116 N4 O24 -","4","0.5","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.085","0.0628","","","0.192","0.2103","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016731","26.249","0.009","9.556","0.003","9.869","0.003","90","","95.32","0.03","90","","2464.8","1.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pyrrolidinium <i>rac</i>-3-benzoyl-2-methylpropionate <i>rac</i>-3-benzoyl-2-methylpropionic acid","","- C26 H33 N O6 -","- C26 H33 N O6 -","- C104 H132 N4 O24 -","4","1","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.1725","0.0626","","","0.145","0.1988","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016732","8.6357","0.0003","8.1068","0.0003","28.2057","0.0009","90","","96.673","0.002","90","","1961.24","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 9<i>H</i>-carbazole","","- C22 H28 B N O2 -","- C22 H28 B N O2 -","- C88 H112 B4 N4 O8 -","4","1","SK3248","Sopková-de Oliveira Santos, Jana; Caruso, Anna; Lohier, Jean-François; Lancelot, Jean-Charles; Rault, Sylvain","9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole and 6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole","Acta Crystallographica Section C","2008","64","8","o453","o455","10.1107/S0108270108020593","","","0.71073","MoKα","","0.0726","0.0538","","","0.1317","0.143","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016733","15.321","0.0014","4.6518","0.0005","18.6647","0.0017","90","","94.239","0.005","90","","1326.6","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C64 H64 Br4 N4 -","4","2","SK3248","Sopková-de Oliveira Santos, Jana; Caruso, Anna; Lohier, Jean-François; Lancelot, Jean-Charles; Rault, Sylvain","9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole and 6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole","Acta Crystallographica Section C","2008","64","8","o453","o455","10.1107/S0108270108020593","","","0.71073","MoKα","","0.0396","0.0299","","","0.064","0.0669","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016734","7.8891","0.0017","7.9921","0.0018","8.5877","0.0018","68.135","0.017","74.049","0.017","63.135","0.018","444.55","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(4-nitrophenyl)-1<i>H</i>-tetrazol-5-amine","","- C7 H6 N6 O2 -","- C7 H6 N6 O2 -","- C14 H12 N12 O4 -","2","1","SK3250","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Two derivatives of 1,5-disubstituted tetrazoles: 1-(4-nitrophenyl)-1<i>H</i>-tetrazol-5-amine and {(<i>E</i>)-[1-(4-ethoxyphenyl)-1<i>H</i>-tetrazol-5-yl]iminomethyl}dimethylamine","Acta Crystallographica Section C","2008","64","8","o414","o416","10.1107/S0108270108019707","","","0.71073","MoKα","","0.0449","0.0417","","","0.1178","0.1213","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016735","8.415","0.0016","17.514","0.003","8.83","0.0014","90","","93.694","0.014","90","","1298.7","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{(E)-[1-(4-ethoxyphenyl)-1H-tetrazol-5-yl]iminomethyl}dimethylamine","","- C12 H16 N6 O -","- C12 H16 N6 O -","- C48 H64 N24 O4 -","4","1","SK3250","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Two derivatives of 1,5-disubstituted tetrazoles: 1-(4-nitrophenyl)-1<i>H</i>-tetrazol-5-amine and {(<i>E</i>)-[1-(4-ethoxyphenyl)-1<i>H</i>-tetrazol-5-yl]iminomethyl}dimethylamine","Acta Crystallographica Section C","2008","64","8","o414","o416","10.1107/S0108270108019707","","","0.71073","MoKα","","0.0671","0.047","","","0.135","0.1541","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016736","7.781","0.002","4.665","0.001","9.516","0.002","90","","106.01","0.03","90","","332.02","0.14","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","<i>trans-β</i>-hydromuconic acid","<i>trans</i>-hex-3-enedioic acid","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","0.5","SK3251","Hachuła, Barbara; Jabłońska, Magdalena; Nowak, Maria; Kusz, Joachim","Redetermination of <i>trans</i>-β-hydromuconic acid","Acta Crystallographica Section C","2008","64","8","o459","o462","10.1107/S010827010802221X","","","0.71073","MoKα","","0.0485","0.0358","","","0.1036","0.1077","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016737","9.6409","0.0007","10.4629","0.0008","25.5588","0.0019","90","","90","","90","","2578.2","0.3","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4''-cyano-7,7''-dimethoxy-3',6'-dioxodispiro[indane-2,2'-piperazine- 5',2''-indane]-4-carboxamide methanol solvate","","- C25 H26 N4 O6 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","SK3252","Jagadish, Bhumasamudram; Carducci, Michael D.; Dawson, Alice; Nichol, Gary S.; Mash, Eugene A.","(<i>S</i>,<i>S</i>)-4''-Cyano-7,7''-dimethoxy-3',6'-dioxodispiro[indane-2,2'-piperazine-5',2''-indane]-4-carboxamide methanol solvate: interrupting the amide-to-amide hydrogen-bonded tape","Acta Crystallographica Section C","2008","64","8","o431","o433","10.1107/S010827010802057X","","","0.71073","MoKα","","0.0416","0.0292","","","0.0652","0.068","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016738","23.557","0.003","9.9789","0.0015","20.3594","0.0017","90","","90","","90","","4785.9","1","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(<i>tert</i>-Butylamino)-4-chloro-6-ethylamino-1,3,5-triazine","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C144 H256 Cl16 N80 -","16","4","SK3255","Quesada, Antonio; Fontecha, Maria A.; López, Maria V.; Low, John N.; Glidewell, Christopher","2-<i>tert</i>-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine: a structure with <i>Z</i>' = 4 containing two different molecular conformations and two independent chains of hydrogen-bonded <i>R</i>~2~^2^(8) rings","Acta Crystallographica Section C","2008","64","8","o463","o466","10.1107/S0108270108021355","","","0.71073","MoKα","","0.0938","0.0579","","","0.135","0.1595","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016739","12.3661","0.0003","22.0755","0.0006","14.2238","0.0004","90","","95.997","0.002","90","","3861.67","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tris(μ-4-methylbenzoato)-κ^2^O:O;κ^4^O:O'-(4-methylbenzoato- κ^2^O,<i>O</i>')dizinc(II)]-μ-4,4'-bipyridine-κ-N:N']","","- C42 H36 N2 O8 Zn2 -","- C42 H36 N2 O8 Zn2 -","- C168 H144 N8 O32 Zn8 -","4","1","SQ3142","Ma, De-Yun; Deng, Guo-Hua","A novel one-dimensional zinc coordination polymer containing 4-methylbenzoate and 4,4-bipyridine","Acta Crystallographica Section C","2008","64","8","m271","m273","10.1107/S0108270108018441","","","0.71073","MoKα","","0.0902","0.0463","","","0.0961","0.1141","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016740","7.8022","0.0002","9.3335","0.0003","15.2091","0.0006","84.677","0.002","84.953","0.002","78.244","0.002","1076.93","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","[(8a,9,9a-η)-9-(η^5^-Cyclopentadienyl)-9-nickelafluorenyl](η^5^- pentamethylcyclopentadienyl)nickel(II)","","- C27 H28 Ni2 -","- C27 H28 Ni2 -","- C54 H56 Ni4 -","2","1","SQ3150","Buchalski, Piotr; Koziol, Andrzej; Suwinska, Kinga","[(8a,9,9a-η)-9-(η^5^-Cyclopentadienyl)-9-nickelafluorenyl](η^5^-pentamethylcyclopentadienyl)nickel(II)","Acta Crystallographica Section C","2008","64","8","m274","m276","10.1107/S0108270108019239","","","0.71073","MoKα","","0.0587","0.0376","","","0.0823","0.0878","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016741","9.2097","0.0018","7.5214","0.0015","6.9033","0.0014","112.48","0.03","93.71","0.03","106.95","0.03","414.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","hexabismuth iron tetraphosphate tetraoxide","","- Bi6.31 Fe0.69 O20 P4 -","- Bi6.31 Fe0.694 O20 P4 -","- Bi6.31 Fe0.694 O20 P4 -","1","0.5","SQ3151","Arumugam, Nachiappan; Lynch, Vincent; Steinfink, Hugo","A new bismuth iron oxyphosphate, Bi~6~(Bi~0.32~Fe~0.68~)(PO~4~)~4~O~4~","Acta Crystallographica Section C","2008","64","8","i71","i72","10.1107/S0108270108021045","","","0.71073","MoKα","","0.0364","0.0364","","","0.0968","0.0968","","","","","","1.114","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016742","12.006","0.006","5.2173","0.0007","7.292","0.001","90","","123.01","0.03","90","","383","0.2","300","","300","","","","3560000","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","Thallium Carbonate","Thallium carbonate","","- C O3 Tl2 -","- C O3 Tl2 -","- C4 O12 Tl8 -","4","0.5","SQ3152","Grzechnik, A.; Friese, K.","Tl~2~CO~3~ at 3.56 GPa","Acta Crystallographica Section C","2008","64","8","i69","i70","10.1107/S0108270108020398","","","0.71073","MoKα","","0.0881","0.0468","","","0.0514","0.0535","","","","","","2.18","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016743","4.32","0.004","4.32","0.004","9.341","0.009","90","","90","","90","","174.3","0.3","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","uranium copper diantimonide","uranium copper diantimonide","","- Cu0.634 Sb2 U -","- Cu0.634 Sb2 U -","- Cu1.268 Sb4 U2 -","2","0.125","SQ3154","Ringe, Emilie; Ibers, James A.","Partial Cu occupancy in uranium copper diantimonide, UCu~0.60(4)~Sb~2~","Acta Crystallographica Section C","2008","64","8","i76","i78","10.1107/S0108270108020386","","","0.71073","MoKα","","0.0241","0.0241","","","0.0582","0.0582","","","","","","1.2","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016744","4.331","0.004","4.331","0.004","9.355","0.009","90","","90","","90","","175.5","0.3","120","2","120","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","uranium copper diantimonide","uranium copper diantimonide","","- Cu0.6 Sb2 U -","- Cu0.6 Sb2 U -","- Cu1.2 Sb4 U2 -","2","0.125","SQ3154","Ringe, Emilie; Ibers, James A.","Partial Cu occupancy in uranium copper diantimonide, UCu~0.60(4)~Sb~2~","Acta Crystallographica Section C","2008","64","8","i76","i78","10.1107/S0108270108020386","","","0.71073","MoKα","","0.0273","0.0268","","","0.066","0.0663","","","","","","1.317","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016745","12.696","0.002","12.696","0.002","4.982","0.001","90","","90","","90","","803","0.2","295","2","295","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","dodecalithium nonadecacopper tricosaaluminide","","- Al22.84 Cu19.21 Li12 -","- Al22.84 Cu19.212 Li12 -","- Al22.84 Cu19.212 Li12 -","1","0.0625","SQ3156","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Pauly, Hermann; Ehrenberg, Helmut","Li~12~Cu~16+<i>x~</i>Al~26{-~<i>x</i>} (<i>x</i> = 3.2): a new intermetallic structure type","Acta Crystallographica Section C","2008","64","8","i73","i75","10.1107/S0108270108022476","","","0.71073","MoKα","","0.1311","0.049","","","0.0749","0.0977","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016746","7.943","0.0016","8.5368","0.0017","13.739","0.003","75.64","0.03","86.57","0.03","79.16","0.03","886.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis{μ~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine- κ^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)","","- C30 H24 Ag2 F6 N8 O6 S2 -","- C30 H24 Ag2 F6 N8 O6 S2 -","- C30 H24 Ag2 F6 N8 O6 S2 -","1","0.5","BG3080","Liu, Chun-Sen; Guo, Liang-Qi; Ma, Song-Tao; Hu, Min","Bis{μ-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine}disilver(I) bis(trifluoromethanesulfonate): effect of counter-anions on the self-assembly of coordination complexes","Acta Crystallographica Section C","2008","64","9","m308","m310","10.1107/S0108270108024189","","","0.71073","MoKα","","0.0431","0.0359","","","0.0875","0.0947","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016747","9.5644","0.0019","13.228","0.003","11.201","0.002","90","","93.39","0.03","90","","1414.6","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) peroxodisulfate dihydrate","","- C28 H30 N4 O10 S2 -","- C28 H30 N4 O10 S2 -","- C56 H60 N8 O20 S4 -","2","0.5","BM3054","Harvey, Miguel Angel; Baggio, Sergio; Garland, María Teresa; Baggio, Ricardo","An unusual two-dimensional hydrogen-bonding network in bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) peroxodisulfate dihydrate","Acta Crystallographica Section C","2008","64","9","o489","o492","10.1107/S0108270108024360","","","0.71073","MoKα","","0.0506","0.0441","","","0.119","0.126","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016748","7.6443","0.0006","8.0127","0.0006","24.512","0.002","90","","98.64","0.006","90","","1484.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(dimethylamino)phenyldiazenyl]-2-naphthol","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","DN3091","Schmidt, Martin U.; Brüning, Jürgen; Wirth, Daniela; Bolte, Michael","Two azo pigments based on β-naphthol","Acta Crystallographica Section C","2008","64","9","o474","o477","10.1107/S0108270108023421","","","0.71073","MoKα","","0.0936","0.0579","","","0.1221","0.1379","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016749","24.813","0.003","10.7144","0.001","13.8806","0.0019","90","","114.15","0.009","90","","3367.3","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[4-(diethylamino)phenyldiazenyl]-2-naphthol","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C160 H168 N24 O8 -","8","1","DN3091","Schmidt, Martin U.; Brüning, Jürgen; Wirth, Daniela; Bolte, Michael","Two azo pigments based on β-naphthol","Acta Crystallographica Section C","2008","64","9","o474","o477","10.1107/S0108270108023421","","","0.71073","MoKα","","0.0706","0.0449","","","0.1021","0.1127","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016750","24.259","0.004","11.469","0.002","7.1937","0.0012","90","","90","","90","","2001.5","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1-naphthylammonium iodide","","- C10 H10 I N -","- C10 H10 I N -","- C80 H80 I8 N8 -","8","1","DN3092","Lemmerer, Andreas; Billing, David G.; Robinson, Janine M.","Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide","Acta Crystallographica Section C","2008","64","9","o481","o484","10.1107/S0108270108023561","","","0.71073","MoKα","","","0.0548","","","","0.1388","","","","","","1.326","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016751","7.2529","0.0013","9.1586","0.0017","10.897","0.002","68.082","0.003","75.764","0.003","68.867","0.003","621.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","naphthalene-1,8-diyldiammonium diiodide","","- C10 H12 I2 N2 -","- C10 H12 I2 N2 -","- C20 H24 I4 N4 -","2","1","DN3092","Lemmerer, Andreas; Billing, David G.; Robinson, Janine M.","Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide","Acta Crystallographica Section C","2008","64","9","o481","o484","10.1107/S0108270108023561","","","0.71073","MoKα","","","0.0405","","","","0.1139","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016752","9.1174","0.0008","10.5925","0.0007","12.269","0.0013","91.964","0.007","98.312","0.008","91.333","0.006","1171.28","0.18","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-{3-[(2-Ammonioethyl)amino]propyl}ethane-1,2-diaminium tris(trifluoromethanesulfonate)","","- C10 H23 F9 N4 O9 S3 -","- C10 H23 F9 N4 O9 S3 -","- C20 H46 F18 N8 O18 S6 -","2","1","EM3016","Patroniak, Violetta; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>-{3-[(2-Ammonioethyl)amino]propyl}ethane-1,2-diaminium tris(trifluoromethanesulfonate): a salt of a folded triply protonated tetramine","Acta Crystallographica Section C","2008","64","9","o511","o513","10.1107/S0108270108023469","","","0.71073","MoKα","","0.0374","0.0293","","","0.0748","0.0798","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016753","15.015","0.0014","6.962","0.0006","24.5189","0.0016","90","","104.224","0.005","90","","2484.5","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipyrido[f,h]quinoxaline-6,7-dicarbonitrile","","- C16 H6 N6 -","- C16 H6 N6 -","- C128 H48 N48 -","8","2","FA3158","Kozlov, Leonid; Goldberg, Israel","Hydrogen-bonding <i>versus</i> π‒π stacking interactions in dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile and 6,7-dicyanodipyrido[<i>f</i>,<i>h</i>]quinoxalin-1-ium chloride dihydrate","Acta Crystallographica Section C","2008","64","9","o498","o501","10.1107/S0108270108025377","","","0.71073","MoKα","","0.137","0.0808","","","0.1441","0.1686","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016754","13.9417","0.0004","12.0846","0.0004","9.635","0.0003","90","","100.452","0.002","90","","1596.37","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,7-dicyanodipyrido[f,h]quinoxalin-1-ium chloride dihydrate","","- C16 H11 Cl N6 O2 -","- C16 H11 Cl N6 O2 -","- C64 H44 Cl4 N24 O8 -","4","1","FA3158","Kozlov, Leonid; Goldberg, Israel","Hydrogen-bonding <i>versus</i> π‒π stacking interactions in dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile and 6,7-dicyanodipyrido[<i>f</i>,<i>h</i>]quinoxalin-1-ium chloride dihydrate","Acta Crystallographica Section C","2008","64","9","o498","o501","10.1107/S0108270108025377","","","0.71073","MoKα","","0.0772","0.0518","","","0.1043","0.1146","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016755","8.3187","0.0006","5.5868","0.0006","21.715","0.002","90","","98.517","0.006","90","","998.07","0.16","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","24p","2,4-Difluoro-<i>N</i>-(4-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","GD3225","McMahon, Joyce; Anderson, Frankie P.; Gallagher, John F.; Lough, Alan J.","A structural systematic study of three isomers of difluoro-<i>N</i>-(4-pyridyl)benzamide","Acta Crystallographica Section C","2008","64","9","o493","o497","10.1107/S0108270108022634","","","0.71073","MolybdenumKα","","0.1273","0.0549","","","0.124","0.1571","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016756","6.2088","0.0004","11.0182","0.0005","14.8139","0.0009","90","","93.018","0.003","90","","1012.01","0.1","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-difluoro(4-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","GD3225","McMahon, Joyce; Anderson, Frankie P.; Gallagher, John F.; Lough, Alan J.","A structural systematic study of three isomers of difluoro-<i>N</i>-(4-pyridyl)benzamide","Acta Crystallographica Section C","2008","64","9","o493","o497","10.1107/S0108270108022634","","","0.71073","MolybdenumKα","","0.0763","0.044","","","0.1042","0.1197","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016757","12.57","0.0006","5.1257","0.0002","16.5178","0.0008","90","","107.847","0.002","90","","1013.03","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-difluoro-<i>N</i>-(4-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","GD3225","McMahon, Joyce; Anderson, Frankie P.; Gallagher, John F.; Lough, Alan J.","A structural systematic study of three isomers of difluoro-<i>N</i>-(4-pyridyl)benzamide","Acta Crystallographica Section C","2008","64","9","o493","o497","10.1107/S0108270108022634","","","0.71073","MolybdenumKα","","0.0551","0.0413","","","0.0984","0.1069","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016758","6.0689","0.0002","13.2879","0.0004","24.7664","0.0008","90","","90","","90","","1997.24","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate","","- C22 H29 Cl O3 -","- C22 H29 Cl O3 -","- C88 H116 Cl4 O12 -","4","1","GD3236","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","Conformation of 17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate and 17-chloroandrosta-5,16-dien-3β-yl acetate","Acta Crystallographica Section C","2008","64","9","o529","o531","10.1107/S0108270108025997","","","0.71073","MoKα","","0.0804","0.0442","","","0.09","0.1049","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016759","6.0271","0.0002","15.4064","0.0006","20.6081","0.0009","90","","90","","90","","1913.58","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-chloro-androsta-5,16-dien-3β-yl acetate","","- C21 H29 Cl O2 -","- C21 H29 Cl O2 -","- C84 H116 Cl4 O8 -","4","1","GD3236","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","Conformation of 17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate and 17-chloroandrosta-5,16-dien-3β-yl acetate","Acta Crystallographica Section C","2008","64","9","o529","o531","10.1107/S0108270108025997","","","0.71073","MoKα","","0.0949","0.0626","","","0.1498","0.1648","","","","","","1.257","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016760","10.5798","0.0008","5.3448","0.001","12.873","0.003","90","","90.204","0.012","90","","727.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2SR,4RS)-7-Chloro-2-<i>exo</i>-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.1158","0.0504","","","0.096","0.1204","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016761","5.2855","0.001","15.649","0.002","17.88","0.003","90","","90","","90","","1478.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2RS,4RS)-7-Chloro-2-<i>endo</i>-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C72 H64 Cl4 N4 O4 -","4","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.0814","0.0469","","","0.0739","0.0838","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016762","5.4172","0.0002","8.0164","0.0006","16.231","0.0011","90","","96.745","0.004","90","","699.98","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>,4<i>R</i>)-7-fluoro-2-endo-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 F N O -","- C18 H16 F N O -","- C36 H32 F2 N2 O2 -","2","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.0448","0.035","","","0.0776","0.0833","","","","","","1.166","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016763","5.5314","0.001","15.43","0.004","26.229","0.006","90","","92.96","0.017","90","","2235.6","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2SR,4RS)-7-Fluoro-2-<i>exo</i>-(2-furyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy- 1-benzazepine","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C112 H96 F8 N8 O16 -","8","2","GG3181","Blanco, Maria C.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three tetrahydro-1,4-epoxy-1-benzazepines carrying pendent heterocyclic substituents: supramolecular structures in zero, one or two dimensions","Acta Crystallographica Section C","2008","64","9","o524","o528","10.1107/S0108270108026176","","","0.71073","MoKα","","0.1518","0.0637","","","0.1317","0.1671","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016764","8.1835","0.0006","10.9447","0.0008","14.694","0.0012","90","","104.969","0.006","90","","1271.42","0.17","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2SR,4RS)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-fluoro- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C14 H11 Br F N O S -","- C14 H11 Br F N O S -","- C56 H44 Br4 F4 N4 O4 S4 -","4","1","GG3181","Blanco, Maria C.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three tetrahydro-1,4-epoxy-1-benzazepines carrying pendent heterocyclic substituents: supramolecular structures in zero, one or two dimensions","Acta Crystallographica Section C","2008","64","9","o524","o528","10.1107/S0108270108026176","","","0.71073","MoKα","","0.0782","0.039","","","0.0748","0.0886","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016765","5.6913","0.0006","10.1187","0.0006","13.2996","0.0013","90","","100.497","0.008","90","","753.09","0.12","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-trifluoromethoxy- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C15 H11 Br F3 N O2 S -","- C15 H11 Br F3 N O2 S -","- C30 H22 Br2 F6 N2 O4 S2 -","2","1","GG3181","Blanco, Maria C.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three tetrahydro-1,4-epoxy-1-benzazepines carrying pendent heterocyclic substituents: supramolecular structures in zero, one or two dimensions","Acta Crystallographica Section C","2008","64","9","o524","o528","10.1107/S0108270108026176","","","0.71073","MoKα","","0.0556","0.0342","","","0.0656","0.0712","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016766","6.5779","0.0018","7.3593","0.001","8.425","0.002","97.277","0.012","95.631","0.015","111.037","0.012","373.03","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Hexamethylenediammonium bis(chloroacetate)","","- C10 H22 Cl2 N2 O4 -","- C10 H22 Cl2 N2 O4 -","- C10 H22 Cl2 N2 O4 -","1","0.5","HJ3084","Ortíz, Alejandro; Insuasty, Braulio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hexamethylenediammonium bis(chloroacetate): a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2008","64","9","o505","o507","10.1107/S0108270108025341","","","0.71073","MoKα","","0.065","0.0388","","","0.0848","0.0973","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016767","9.382","0.002","5.7095","0.0014","11.132","0.003","90","","115.109","0.004","90","","540","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Calcium pentaoxidoditellurate(IV)","","- Ca O5 Te2 -","- Ca O5 Te2 -","- Ca4 O20 Te8 -","4","1","IZ3054","Weil, Matthias; Stöger, Berthold","A non-twinned polymorph of CaTe~2~O~5~ from a hydrothermally grown crystal","Acta Crystallographica Section C","2008","64","9","i79","i81","10.1107/S0108270108024827","","","0.71073","MoKα","","0.0445","0.0355","","","0.0753","0.0787","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016768","8.5763","0.0005","13.4913","0.0008","14.1944","0.0008","90","","103.37","0.001","90","","1597.86","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[[μ~3~-N'-(4-cyanobenzylidene)isonicotinohydrazide]silver(I)] perchlorate]","","- C14 H10 Ag Cl N4 O5 -","- C14 H10 Ag Cl N4 O5 -","- C56 H40 Ag4 Cl4 N16 O20 -","4","1","LN3107","Niu, Cao-Yuan; Zheng, Xian-Fu; Bai, Ling-Ling; Wu, Xiao-Ling; Kou, Chun-Hong","A grid-like two-dimensional Ag^I^ coordination polymer: poly[[[μ~3~-<i>N</i>'-(4-cyanobenzylidene)isonicotinohydrazide]silver(I)] perchlorate]","Acta Crystallographica Section C","2008","64","9","m305","m307","10.1107/S0108270108023585","","","0.71073","MoKα","","0.0296","0.0255","","","0.0658","0.0688","","","","","","1.004","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016769","8.5272","0.0002","14.4503","0.0004","18.1776","0.0005","90","","101.777","0.002","90","","2192.7","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dichloridobis(1,10-phenanthroline-5,6-diol- κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C24 H16 Cl2 Mn N4 O4 -","- C24 H16 Cl2 Mn N4 O4 -","- C96 H64 Cl8 Mn4 N16 O16 -","4","0.5","LN3111","Guan, Xiao-Hong; Wu, Jian-Zhong; Yu, Ying; Yang, Ping","<i>cis</i>-Dichloridobis(1,10-phenanthroline-5,6-diol-κ^2^<i>N</i>,<i>N</i>')manganese(II): a supramolecular chain formed <i>via</i> O—H···Cl bonds and aromatic stacking","Acta Crystallographica Section C","2008","64","9","m311","m313","10.1107/S0108270108026000","","","0.71073","MoKα","","0.0339","0.0305","","","0.0797","0.0819","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016770","11.9348","0.0011","21.617","0.002","5.3024","0.0006","90","","90","","90","","1368","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2SR,4RS)-7-chloro-2-<i>exo</i>-(4-chlorophenyl)-2,3,4,5-tetrahydro- 1H-1,4-epoxy-1-benzazepine","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.0917","0.0453","","","0.085","0.1042","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016771","7.4328","0.0011","12.3746","0.0016","14.9187","0.0019","90","","90","","90","","1372.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-7-chloro-2-<i>exo</i>-(2-chlorophenyl)- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.1875","0.0607","","","0.1112","0.1534","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016772","9.6174","0.0018","11.558","0.003","13.465","0.004","90","","90","","90","","1496.7","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-7-chloro-2-<i>exo</i>- (1-naphthyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C80 H64 Cl4 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.0993","0.0541","","","0.0975","0.1136","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016773","11.124","0.002","15.709","0.003","11.337","0.002","90","","106.48","0.03","90","","1899.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[copper(I)-di-μ~2~-pyrazine-κ^4^N:N'] 3,5-dicarboxybenzenesulfonate monohydrate]","","- C16 H15 Cu N4 O8 S -","- C16 H15 Cu N4 O8 S -","- C64 H60 Cu4 N16 O32 S4 -","4","1","SF3085","Guo, Hong-Xu; Weng, Wen; Li, Xi-Zhong; Liang, Min; Zheng, Cai-Qing","A novel three-dimensional coordination polymer constructed from pyrazine and copper(I): poly[[copper(I)-di-μ~2~-pyrazine-κ^4^<i>N</i>:<i>N</i>'] 3,5-dicarboxybenzenesulfonate monohydrate]","Acta Crystallographica Section C","2008","64","9","m314","m316","10.1107/S0108270108025900","","","0.71073","MoKα","","0.083","0.0488","","","0.0982","0.1113","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016774","6.7684","0.0005","6.9561","0.0004","18.0001","0.0014","86.525","0.006","87.481","0.006","86.19","0.006","843.37","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","2-carboxyanilinium hydrogen 4,5-dichlorophthalate dihydrate","2-carboxyanilinium 2-carboxy-4,5-dichlorobenzoate dihydrate","","- C15 H15 Cl2 N O8 -","- C15 H15 Cl2 N O8 -","- C30 H30 Cl4 N2 O16 -","2","1","SF3087","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Two- and three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the isomeric monoaminobenzoic acids","Acta Crystallographica Section C","2008","64","9","o532","o536","10.1107/S0108270108027054","","","1.5418","CuKα","","0.0541","0.0499","","","0.1526","0.1568","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016775","12.9028","0.0007","7.4091","0.0004","32.2323","0.0017","90","","96.012","0.001","90","","3064.4","0.3","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-carboxyanilinium hydrogen 4,5-dichlorophthalate","3-carboxyanilinium 2-carboxy-4,5-dichlorobenzoate","","- C15 H11 Cl2 N O6 -","- C15 H11 Cl2 N O6 -","- C120 H88 Cl16 N8 O48 -","8","2","SF3087","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Two- and three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the isomeric monoaminobenzoic acids","Acta Crystallographica Section C","2008","64","9","o532","o536","10.1107/S0108270108027054","","","0.71073","MoKα","","0.0463","0.0399","","","0.1005","0.1044","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016776","12.8552","0.0012","7.5003","0.0007","31.932","0.003","90","","94.785","0.002","90","","3068.1","0.5","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-carboxyanilinium hydrogen 4,5-dichlorophthalate","4-carboxyanilinium 2-carboxy-4,5-dichlorobenzoate","","- C15 H11 Cl2 N O6 -","- C15 H11 Cl2 N O6 -","- C120 H88 Cl16 N8 O48 -","8","1","SF3087","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Two- and three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the isomeric monoaminobenzoic acids","Acta Crystallographica Section C","2008","64","9","o532","o536","10.1107/S0108270108027054","","","0.71073","MoKα","","0.0518","0.0421","","","0.0834","0.0857","","","","","","1.498","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016777","8.213","0.002","8.727","0.002","9.042","0.003","90.5","0.02","95.32","0.03","113.86","0.03","589.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","11-chloro-2,3,4,5-tetrahydro-1<i>H</i>-cyclohepta[<i>b</i>]quinoline","","- C14 H14 Cl N -","- C14 H14 Cl N -","- C28 H28 Cl2 N2 -","2","1","SK3246","Novaković, Sladjana B.; Vitorović-Todorović, Maja D.; Bogdanović, Goran A.; Drakulić, Branko J.","Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1<i>H</i>-cyclohepta[<i>b</i>]quinoline","Acta Crystallographica Section C","2008","64","9","o502","o504","10.1107/S0108270108022221","","","0.71073","MoKα","","0.0422","0.0368","","","0.1043","0.1067","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016778","6.351","0.0012","42.306","0.006","7.1764","0.0006","90","","115.651","0.013","90","","1738.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5α-Androst-3-en-17-one oxime","","- C19 H29 N O -","- C19 H29 N O -","- C76 H116 N4 O4 -","4","2","SK3256","Andrade, L. C. R.; Almeida, M. J. M. de; Fernandes Roleira, F. M.; Varela, C. L.; Tavares da Silva, E. J.","5α-Androst-3-en-17-one oxime","Acta Crystallographica Section C","2008","64","9","o508","o510","10.1107/S0108270108023299","","","1.5418","CuKα","","0.0581","0.0416","","","0.1224","0.1332","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016779","4.9517","0.0002","12.8674","0.0005","15.2828","0.0006","90","","92.806","0.003","90","","972.58","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)di-1<i>H</i>-imidazolium bis(tetrafluoroborate)","","- C16 H20 B2 F8 N4 -","- C16 H20 B2 F8 N4 -","- C32 H40 B4 F16 N8 -","2","0.5","SK3257","Ganesan, Kilivelu; Alias, Yatimah; Ng, Seik Weng","Imidazolium-based ionic liquid salts: 3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(tetrafluoroborate) and 3,3'-di-<i>n</i>-butyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2008","64","9","o478","o480","10.1107/S0108270108023111","","","0.71073","MoKα","","0.097","0.0496","","","0.1015","0.1203","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016780","10.3833","0.0001","12.047","0.0002","13.6933","0.0002","100.752","0.001","105.194","0.001","111.97","0.001","1453.37","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3'-di-<i>n</i>-butyl-1,1'-(1,4-phenylenedimethylene)di-1<i>H</i>-imidazolium bis(trifluoromethanesulfonate)","","- C24 H32 F6 N4 O6 S2 -","- C24 H32 F6 N4 O6 S2 -","- C48 H64 F12 N8 O12 S4 -","2","1","SK3257","Ganesan, Kilivelu; Alias, Yatimah; Ng, Seik Weng","Imidazolium-based ionic liquid salts: 3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(tetrafluoroborate) and 3,3'-di-<i>n</i>-butyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2008","64","9","o478","o480","10.1107/S0108270108023111","","","0.71073","MoKα","","0.0419","0.0354","","","0.0968","0.1012","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016781","6.8665","0.0006","9.4084","0.0014","11.147","0.002","91.611","0.014","107.728","0.014","111.097","0.012","632.22","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-<i>tert</i>-Butyl-5-methyl-7,8-dihydro-6<i>H</i>- cyclopenta[<i>e</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","","- C14 H19 N3 -","- C14 H19 N3 -","- C28 H38 N6 -","2","1","SK3259","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-<i>tert</i>-Butyl-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>e</i>]pyrazolo[1,5-<i>a</i>]pyrimidine: molecular stacks built from C—H···π(pyrazole) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2008","64","9","o471","o473","10.1107/S010827010802266X","","","0.71073","MoKα","","0.1136","0.0623","","","0.1499","0.1799","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016782","9.99","0.001","9.99","0.001","7.395","0.001","90","","90","","120","","639.15","0.13","294","2","294","2","","","","","","","","4","P 63/m","-P 6c","176","Strontium fluorarsenate","strontium arsenate fluoride","","- As3 F O12 Sr5 -","- As3 F O12 Sr5 -","- As6 F2 O24 Sr10 -","2","0.166667","SQ3149","Dordević, Tamara; Šutović, Sabina; Stojanović, Jovica; Karanović, Ljiljana","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica Section C","2008","64","9","i82","i86","10.1107/S0108270108023457","","","0.71073","MoKα","","0.0177","0.0165","","","0.0366","0.0371","","","","","","1.224","","","","has coordinates,has Fobs","282534","2023-04-10","15:44:47",""
"2016783","10.39","0.001","10.39","0.001","7.575","0.002","90","","90","","120","","708.2","0.2","294","2","294","2","","","","","","","","5","P 63/m","-P 6c","176","Barium strontium chlorarsenate","strontium barium arsenate chloride","","- As3 Ba2.95 Cl O12 Sr2.05 -","- As3 Ba2.951 Cl O12 Sr2.047 -","- As6 Ba5.902 Cl2 O24 Sr4.094 -","2","0.166667","SQ3149","Dordević, Tamara; Šutović, Sabina; Stojanović, Jovica; Karanović, Ljiljana","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica Section C","2008","64","9","i82","i86","10.1107/S0108270108023457","","","0.71069","MoKα","","0.0228","0.02","","","0.0482","0.0493","","","","","","1.111","","","","has coordinates,has Fobs","282534","2023-04-10","15:44:48",""
"2016784","9.971","0.001","9.971","0.001","6.514","0.001","90","","90","","120","","560.86","0.12","294","2","294","2","","","","","","","","5","P 63/m","-P 6c","176","Cadmium Chlorarsenate","cadmium arsenate hydroxide chloride","","- As6 Cd10 Cl1.16 H0.84 O24.84 -","- As6 Cd10 Cl1.16 H0.84 O24.84 -","- As6 Cd10 Cl1.16 H0.84 O24.84 -","1","0.0833333","SQ3149","Dordević, Tamara; Šutović, Sabina; Stojanović, Jovica; Karanović, Ljiljana","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica Section C","2008","64","9","i82","i86","10.1107/S0108270108023457","","","0.71073","MoKα","","0.0179","0.0176","","","0.0369","0.037","","","","","","1.298","","","","has coordinates,has Fobs","282534","2023-04-10","15:44:48",""
"2016785","18.497","0.003","6.1203","0.0008","17.188","0.002","90","","112.051","0.002","90","","1803.5","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-thiabicyclo[3.2.0]heptane-6,7-dicarboxylic acid 3,3-dioxide","","- C8 H10 O6 S -","- C8 H10 O6 S -","- C64 H80 O48 S8 -","8","2","SQ3155","Pett, Virginia B.; Haynes, LeRoy W.","Conformation and hydrogen bonding for the bicyclic compound 3-thiabicyclo[3.2.0]heptane-6,7-dicarboxylic acid 3,3-dioxide","Acta Crystallographica Section C","2008","64","9","o485","o488","10.1107/S0108270108022439","","","0.71073","MoKα","","0.0822","0.0525","","","0.1165","0.1282","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016786","10.6328","0.0003","11.1114","0.0003","12.8839","0.001","75.251","0.005","65.652","0.002","81.539","0.002","1339.56","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","salicylaldehyde 4-phenylthiosemicarbazone","salicylaldehyde 4-phenylthiosemicarbazone","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","2","AV3157","Rubčić, Mirta; Dilović, Ivica; Cindrić, Marina; Matković-Čalogović, Dubravka","Two thiosemicarbazones derived from salicylaldehyde: very specific hydrogen-bonding interactions of the N—H···S=C type","Acta Crystallographica Section C","2008","64","10","o570","o573","10.1107/S0108270108029016","","","0.71073","MoKα","","0.0352","0.0307","","","0.0761","0.0786","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016787","4.73851","0.00017","11.3244","0.0004","14.0775","0.0005","78.39","0.003","89.547","0.003","89.364","0.003","739.9","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-methoxysalicylaldehyde 4-phenylthiosemicarbazone","4-methoxysalicylaldehyde 4-phenylthiosemicarbazone","","- C15 H15 N3 O2 S -","- C15 H15 N3 O2 S -","- C30 H30 N6 O4 S2 -","2","1","AV3157","Rubčić, Mirta; Dilović, Ivica; Cindrić, Marina; Matković-Čalogović, Dubravka","Two thiosemicarbazones derived from salicylaldehyde: very specific hydrogen-bonding interactions of the N—H···S=C type","Acta Crystallographica Section C","2008","64","10","o570","o573","10.1107/S0108270108029016","","","0.71073","MoKα","","0.0368","0.0301","","","0.0839","0.0868","","","","","","1.082","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016788","10.572","0.003","17.755","0.005","7.39","0.002","90","","105.374","0.005","90","","1337.5","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-Piperazine-<i>N</i>,<i>N</i>'-tetraaquabis[(μ~2~-2-nitroterephthalato-<i>O</i>:<i>O</i>',<i>O</i>'')dicadmium(II)] dihydrate]","","- C20 H28 Cd2 N4 O18 -","- C20 H28 Cd2 N4 O18 -","- C40 H56 Cd4 N8 O36 -","2","0.5","AV3159","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[tetraaquabis(μ~2~-2-nitroterephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-piperazine-κ^3^<i>N</i>:<i>N</i>')dicadmium(II)] dihydrate]","Acta Crystallographica Section C","2008","64","10","m342","m344","10.1107/S010827010802903X","","","0.71073","MoKα","","0.0549","0.0477","","","0.1255","0.1294","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016789","4.6042","0.0001","14.157","0.0003","15.6614","0.0004","90","","89.327","0.001","90","","1020.77","0.04","295","2","295","2","101.3","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenediammonium dihydrochloride","Hexane-1,6-diammonium dichloride","","- C6 H18 Cl2 N2 -","- C6 H18 Cl2 N2 -","- C24 H72 Cl8 N8 -","4","1","BM3056","Blerk, Charmaine van; Kruger, Gert J.","Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine","Acta Crystallographica Section C","2008","64","10","o537","o542","10.1107/S0108270108022919","","","0.71073","MoKα","","0.032","0.0261","","","0.072","0.0754","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016790","4.7044","0.0001","14.4462","0.0003","16.2582","0.0004","90","","90.115","0.001","90","","1104.92","0.04","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenediammonium dihydrobromide","Hexane-1,6-diammonium dibromide","","- C6 H18 Br2 N2 -","- C6 H18 Br2 N2 -","- C24 H72 Br8 N8 -","4","1","BM3056","Blerk, Charmaine van; Kruger, Gert J.","Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine","Acta Crystallographica Section C","2008","64","10","o537","o542","10.1107/S0108270108022919","","","0.71073","MoKα","","0.033","0.0253","","","0.057","0.0599","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016791","4.8884","0.0001","12.8756","0.0004","9.7488","0.0003","90","","90.423","0.002","90","","613.58","0.03","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenediammonium bishydroiodide","Hexane-1,6-diammonium diiodide","","- C6 H18 I2 N2 -","- C6 H18 I2 N2 -","- C12 H36 I4 N4 -","2","0.5","BM3056","Blerk, Charmaine van; Kruger, Gert J.","Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine","Acta Crystallographica Section C","2008","64","10","o537","o542","10.1107/S0108270108022919","","","0.71073","MoKα","","0.0257","0.0237","","","0.058","0.0595","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016792","8.0288","0.001","12.7685","0.0015","15.873","0.002","90","","92.848","0.006","90","","1625.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-oxido-bis[(tert-butylselenolato)bis(η^5^-cyclopentadienyl)niobium(IV)] toluene solvate","","- C35 H46 Nb2 O Se2 -","- C35 H46 Nb2 O Se2 -","- C70 H92 Nb4 O2 Se4 -","2","0.5","BM3060","Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","[{Cp~2~(^<i>t^</i>BuSe)Nb}~2~<i>E</i>] (<i>E</i> = O and Se) with bridging oxide or selenide ligands","Acta Crystallographica Section C","2008","64","10","m321","m323","10.1107/S0108270108025055","","","0.71073","MoKα","","0.0305","0.0237","","","0.0478","0.0511","","","","","","1.171","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016793","31.583","0.008","7.9548","0.0015","26.52","0.007","90","","121.29","0.02","90","","5694","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","μ-selenido-bis[(tert-butylselenolato)bis(η^5^-cyclopentadienyl)niobium(IV)]","","- C28 H38 Nb2 Se3 -","- C28 H38 Nb2 Se3 -","- C224 H304 Nb16 Se24 -","8","1","BM3060","Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","[{Cp~2~(^<i>t^</i>BuSe)Nb}~2~<i>E</i>] (<i>E</i> = O and Se) with bridging oxide or selenide ligands","Acta Crystallographica Section C","2008","64","10","m321","m323","10.1107/S0108270108025055","","","0.71073","MoKα","","0.0744","0.0413","","","0.0668","0.0746","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016794","15.666","0.003","6.6959","0.0009","18.726","0.003","90","","100.48","0.004","90","","1931.6","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cytosinium succinate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypropanoate","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C64 H88 N24 O40 -","8","1","DN3096","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate","Acta Crystallographica Section C","2008","64","10","o566","o569","10.1107/S010827010802979X","","","0.71073","MoKα","","0.0378","0.0367","","","0.1068","0.108","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016795","6.7154","0.0014","7.4036","0.0016","19.228","0.004","85.525","0.004","87.576","0.004","67.279","0.003","879","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","cytosinium 4-nitrobenzoate cytosine monohydrate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 4-nitrobenzoate 4-aminopyrimidin-2(1H)-one solvate monohydrate","","- C15 H17 N7 O7 -","- C15 H17 N7 O7 -","- C30 H34 N14 O14 -","2","1","DN3096","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate","Acta Crystallographica Section C","2008","64","10","o566","o569","10.1107/S010827010802979X","","","0.71073","MoKα","","0.0804","0.0698","","","0.1943","0.2086","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016796","9.507","0.003","9.122","0.003","9.79","0.003","90","","117.469","0.004","90","","753.3","0.4","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","azetidine","azetidine","","- C3 H7 N -","- C3 H7 N -","- C24 H56 N8 -","8","2","FA3160","Bond, Andrew D.; Davies, John E.; Parsons, Simon","Azetidine, pyrrolidine and hexamethyleneimine at 170K","Acta Crystallographica Section C","2008","64","10","o543","o546","10.1107/S0108270108026012","","","0.71073","MoKα","","0.089","0.0557","","","0.1417","0.1624","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016797","8.6753","0.0008","5.2078","0.0005","10.7108","0.001","90","","110.451","0.003","90","","453.41","0.07","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","pyrrolidine","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","FA3160","Bond, Andrew D.; Davies, John E.; Parsons, Simon","Azetidine, pyrrolidine and hexamethyleneimine at 170K","Acta Crystallographica Section C","2008","64","10","o543","o546","10.1107/S0108270108026012","","","0.71073","MoKα","","0.0498","0.0416","","","0.1051","0.11","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016798","11.0201","0.0014","10.3027","0.0013","12.7322","0.0015","90","","114.11","0.005","90","","1319.5","0.3","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","homopiperidine","hexamethyleneimine","","- C6 H13 N -","- C6 H13 N -","- C48 H104 N8 -","8","2","FA3160","Bond, Andrew D.; Davies, John E.; Parsons, Simon","Azetidine, pyrrolidine and hexamethyleneimine at 170K","Acta Crystallographica Section C","2008","64","10","o543","o546","10.1107/S0108270108026012","","","0.71073","MoKα","","0.104","0.0826","","","0.2508","0.2692","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016799","11.6394","0.0015","11.5736","0.0015","30.782","0.004","90","","90","","90","","4146.6","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","FA3167","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione: molecular conformation and supramolecular aggregation in xanthenediones","Acta Crystallographica Section C","2008","64","10","o554","o557","10.1107/S0108270108029181","","","0.71073","MoKα","","0.1215","0.0531","","","0.1185","0.1439","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016800","8.122","0.002","8.412","0.003","9.24","0.003","91.973","0.008","93.386","0.009","92.464","0.008","629.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ~2~-chlorido)-bis{2-[1-(2-pyridylethylimino)ethyl]pyrrolato- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dicopper(II)","","- C26 H28 Cl2 Cu2 N6 -","- C26 H28 Cl2 Cu2 N6 -","- C26 H28 Cl2 Cu2 N6 -","1","0.5","GD3235","Li, Rongqing; Zhao, Pusu; Tang, Guodong; Tang, Xiaoling","Di-μ-chlorido-bis({2-[1-(2-pyridylethylimino)ethyl]pyrrolato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II))","Acta Crystallographica Section C","2008","64","10","m339","m341","10.1107/S0108270108028783","","","0.7107","MoKα","","0.0517","0.0401","","","0.0792","0.0847","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016801","13.9947","0.0004","13.9947","0.0004","8.4249","0.0003","90","","90","","120","","1428.97","0.08","298","2","298","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato- κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]","","- C9 H6 N12 S4 Zn4 -","- C9 H6 N12 S4 Zn4 -","- C27 H18 N36 S12 Zn12 -","3","0.166667","GD3237","Park, Hyunsoo; Geiser, Urs; Halder, Gregory J.; Schlueter, John A.","Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]: a three-dimensional zinc sulfide coordination polymer","Acta Crystallographica Section C","2008","64","10","m327","m329","10.1107/S0108270108027327","","","0.71073","MoKα","","0.0143","0.0142","","","0.0343","0.0343","","","","","","1.129","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016802","10.069","0.003","10.48","0.002","10.749","0.004","88.59","0.03","63.2","0.03","73.59","0.05","964.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8- tetraazacyclopenteno[<i>l</i>]phenanthrene- κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-μ-chlorido-[(2-phenyl-1<i>H</i>- 1,3,7,8-tetraazacyclopenteno[<i>l</i>]phenanthrene- κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-μ-fumarato- κ^4^O^1^,O^1'^:O^4^,O^4'^]","","- C42 H26 Cd2 Cl2 N8 O4 -","- C42 H26 Cd2 Cl2 N8 O4 -","- C42 H26 Cd2 Cl2 N8 O4 -","1","0.5","GD3238","Kong, Zhi-Guo; Wang, Jia-Jun; Wang, Xiu-Yan","<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-μ-chlorido-[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-μ-fumarato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]: a coordination polymer with a two-dimensional supramolecular architecture","Acta Crystallographica Section C","2008","64","10","m333","m335","10.1107/S0108270108026760","","","0.71073","MoKα","","0.0378","0.0288","","","0.0586","0.0615","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016803","5.2011","0.0002","23.5553","0.0011","12.2402","0.0006","90","","101.719","0.001","90","","1468.33","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Cu2 N2 O5 -","- C16 H9 Cu2 N2 O5 -","- C64 H36 Cu8 N8 O20 -","4","1","GD3240","Wang, Xiu-Yan; Wang, Jia-Jun","A mixed-valence copper coordination polymer generated by a hydrothermal metal/ligand redox reaction process","Acta Crystallographica Section C","2008","64","10","m330","m332","10.1107/S0108270108029314","","","0.71073","MoKα","","0.0339","0.028","","","0.0681","0.0708","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016804","5.053","0.0004","9.4145","0.0009","9.5169","0.0009","75.239","0.008","89.253","0.009","75.757","0.01","423.74","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","3-acetylanilinium bromide","","- C8 H10 Br N O -","- C8 H10 Br N O -","- C16 H20 Br2 N2 O2 -","2","1","GD3241","Cinčić, Dominik; Kaitner, Branko","3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions","Acta Crystallographica Section C","2008","64","10","o561","o565","10.1107/S0108270108028771","","","0.71073","MoKα","","0.0208","0.0182","","","0.0466","0.0487","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016805","16.7754","0.0004","6.6044","0.0002","8.2683","0.0002","90","","90","","90","","916.06","0.04","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-acetylanilinium nitrate","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","0.5","GD3241","Cinčić, Dominik; Kaitner, Branko","3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions","Acta Crystallographica Section C","2008","64","10","o561","o565","10.1107/S0108270108028771","","","0.71073","MoKα","","0.0528","0.0421","","","0.1146","0.1288","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016806","4.6733","0.0002","10.5962","0.0004","21.1801","0.0009","90","","93.631","0.003","90","","1046.72","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-acetylanilinium dihydrogen phosphate","","- C8 H12 N O5 P -","- C8 H12 N O5 P -","- C32 H48 N4 O20 P4 -","4","1","GD3241","Cinčić, Dominik; Kaitner, Branko","3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions","Acta Crystallographica Section C","2008","64","10","o561","o565","10.1107/S0108270108028771","","","0.71073","MoKα","","0.0661","0.0467","","","0.1279","0.1496","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016807","3.7294","0.00013","20.095","0.0005","9.6217","0.0002","90","","98.8484","0.0011","90","","712.49","0.03","110","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridazine‒2,5-dichloro-3,6-dihydroxy-<i>p</i>-benzoquinone (2/1)","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","GD3243","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2/1) and 1,4-diazine‒chloranilic acid (2/1) determined at 110 K","Acta Crystallographica Section C","2008","64","10","o550","o553","10.1107/S0108270108029028","","","0.71075","MoKα","","0.0343","0.0299","","","0.0824","0.0835","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016808","3.753","0.0003","18.3915","0.0014","10.7248","0.0008","90","","94.103","0.003","90","","738.36","0.1","110","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyrazine‒2,5-dichloro-3,6-dihydroxy-<i>p</i>-benzoquinone (2/1)","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","GD3243","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2/1) and 1,4-diazine‒chloranilic acid (2/1) determined at 110 K","Acta Crystallographica Section C","2008","64","10","o550","o553","10.1107/S0108270108029028","","","0.71075","MoKα","","0.0483","0.0433","","","0.104","0.1078","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016809","17.112","0.006","7.636","0.003","13.174","0.005","90","","111.29","0.02","90","","1603.9","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(5-iodothiophen-2-yl)prop-2-en-1-one,","","- C17 H11 Cl I N O S -","- C17 H11 Cl I N O S -","- C68 H44 Cl4 I4 N4 O4 S4 -","4","1","GG3168","Rizvi, Umar Farooq; Siddiqui, Hamid Latif; Ahmad, Saeed; Ahmad, Matloob; Parvez, Masood","Novel chalcones derived from 2-chloro-3-formyl-6-methylquinoline","Acta Crystallographica Section C","2008","64","10","o547","o549","10.1107/S0108270108029326","","","0.71073","MoKα","","0.068","0.041","","","0.084","0.097","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016810","36.228","0.01","7.372","0.003","11.214","0.005","90","","99.7","0.02","90","","2952","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C144 H112 Cl8 N8 O16 -","8","1","GG3168","Rizvi, Umar Farooq; Siddiqui, Hamid Latif; Ahmad, Saeed; Ahmad, Matloob; Parvez, Masood","Novel chalcones derived from 2-chloro-3-formyl-6-methylquinoline","Acta Crystallographica Section C","2008","64","10","o547","o549","10.1107/S0108270108029326","","","0.71073","MoKα","","0.073","0.044","","","0.094","0.11","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016811","10.509","0.004","33.708","0.006","11.967","0.003","90","","111.388","0.006","90","","3947.2","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2- ylidene]rhodium(II)](Rh—Rh) tetrahydrofuran tetrasolvate","","- C78 H116 N4 O12 Rh2 -","- C78 H116 N4 O12 Rh2 -","- C156 H232 N8 O24 Rh4 -","2","0.5","HJ3081","André, Vânia; Duarte, M. Teresa; Trindade, Alexandre F.; Góis, Pedro M. P.; Afonso, Carlos A. M.","Tetra-μ-acetato-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]rhodium(II)}(<i>Rh</i>—<i>Rh</i>) tetrahydrofuran tetrasolvate","Acta Crystallographica Section C","2008","64","10","m345","m348","10.1107/S0108270108026589","","","0.71069","MoKα","","0.1064","0.0714","","","0.1424","0.1508","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016812","7.0484","0.0004","19.4249","0.0007","10.3331","0.0005","90","","109.774","0.004","90","","1331.33","0.12","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-Diaquabis(nicotinamide-κ<i>N</i>)bis(salicylato-κ<i>O</i>)cobalt(II)","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","1","HJ3085","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Necefoglu, Hacali","<i>trans</i>-Diaquabis(nicotinamide-κ<i>N</i>)bis(salicylato-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section C","2008","64","10","m317","m320","10.1107/S0108270108029521","","","0.71073","MoKα","","0.0487","0.0431","","","0.1114","0.1145","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016813","23.2847","0.0011","12.1184","0.0006","5.5709","0.0003","90","","90","","90","","1571.96","0.14","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>threo</i>-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","HJ3086","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Conformation of 1-aryl-2-aryloxy-1-propanols: <i>threo</i>-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol","Acta Crystallographica Section C","2008","64","10","o558","o560","10.1107/S0108270108026565","","","0.71073","MoKα","","0.0531","0.0412","","","0.1055","0.1122","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016814","12.2286","0.0002","12.4976","0.0007","12.951","","103.759","0.015","98.726","0.012","118.767","0.009","1600.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(carbonato-κ^2^O,O')bis[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^N:N']copper(II) 1,4-bis(imidazol-1-ylmethyl)benzene hemisolvate pentahydrate]","","- C29 H38 Cu N8 O8 -","- C29 H38 Cu N8 O8 -","- C58 H76 Cu2 N16 O16 -","2","1","HJ3087","Dai, Yu-Mei; Tang, En; Huang, Jin-Feng; Yang, Qiu-Yan","Poly[[sesqui[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')copper(II)] 1,4-bis(imidazol-1-ylmethyl)benzene hemisolvate pentahydrate]","Acta Crystallographica Section C","2008","64","10","m349","m352","10.1107/S0108270108028722","","","0.71073","MoKα","","","0.0466","","","0.109","0.1197","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016815","10.9251","0.0018","11.777","0.003","11.9438","0.0012","90.417","0.013","112.616","0.009","112.75","0.014","1286.1","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","(1RS,2SR,3RS,5SR)-2-Benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol","(2RS,3SR,4RS,6SR)-3-Benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1- dicarbonitrile","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","LN3114","Rodríguez, Ricuarte; Nogueras, Manuel; Low, John N.; Cobo, Justo; Glidewell, Christopher","(1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,5<i>SR</i>)-2-Benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol at 120K: complex sheets built from C—H···O and C—H···N hydrogen bonds","Acta Crystallographica Section C","2008","64","10","o578","o582","10.1107/S0108270108030515","","","0.71073","MoKα","","0.1264","0.0568","","","0.104","0.1283","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016816","13.815","0.008","12.109","0.004","18.787","0.008","90","","106.55","0.02","90","","3013","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis{μ-[(4-hydroxybenzoyl)hydrazonomethyl]phenolato}bis[aquacopper(II)] dinitrate","","- C28 H26 Cu2 N6 O14 -","- C28 H26 Cu2 N6 O14 -","- C112 H104 Cu8 N24 O56 -","4","0.5","SF3086","Yin, Hua","The new three-dimensional supramolecule bis{μ-2-[(4-hydroxybenzoyl)hydrazonomethyl]phenolato}bis[aquacopper(II)] dinitrate","Acta Crystallographica Section C","2008","64","10","m324","m326","10.1107/S0108270108026401","","","0.71073","MoKα","","0.0489","0.0372","","","0.1072","0.1136","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016817","9.032","0.003","11.758","0.002","9.208","0.002","90","","117.11","0.02","90","","870.4","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C38 H26 N10 O4 -","2","1","SQ3157","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism","Acta Crystallographica Section C","2008","64","10","o574","o577","10.1107/S0108270108029806","","","1.54178","CuKα","","0.0633","0.0373","","","0.0925","0.1036","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016818","16.384","0.005","9.725","0.004","13.181","0.003","90","","127.36","0.04","90","","1669.3","1.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C76 H52 N20 O8 -","4","1","SQ3157","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism","Acta Crystallographica Section C","2008","64","10","o574","o577","10.1107/S0108270108029806","","","1.54178","CuKα","","0.0598","0.0398","","","0.1001","0.1091","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016819","10.162","0.002","18.04","0.004","24.16","0.005","90","","92.78","0.03","90","","4423.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(pyrazino[2,3-<i>f</i>]-1,10-phenanthroline-κ^2^N,N')- bis(1,4-naphthalenedicarboxylato-κ^5^O,O':O'',O''':O')dicadmium(II)","","- C52 H28 Cd2 N8 O8 -","- C52 H28 Cd2 N8 O8 -","- C208 H112 Cd8 N32 O32 -","4","1","SQ3163","Qiao, Qian; Zhao, Ya-Juan; Tang, Tian-Di","A six-connected α-polonium net based on tetranuclear Cd^II^ nodes","Acta Crystallographica Section C","2008","64","10","m336","m338","10.1107/S0108270108028539","","","0.71073","MoKα","","0.0573","0.0381","","","0.0803","0.0862","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016820","12.28","0.003","9.4471","0.0019","7.3028","0.0015","90","","99.97","0.03","90","","834.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-Methylacetanilide","3'-Methylacetanilide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","AV3158","Śmiszek-Lindert, Wioleta; Lindert, Olaf; Nowak, Maria; Kusz, Joachim","3'-Methylacetanilide and <i>N</i>-benzylthioacetamide at low temperature","Acta Crystallographica Section C","2008","64","11","o599","o603","10.1107/S0108270108033374","","","0.71073","MoKα","","0.0633","0.042","","","0.1286","0.1352","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016821","5.5957","0.0011","8.2201","0.0016","19.278","0.004","90","","90","","90","","886.7","0.3","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzylthioacetamide","N-benzylthioacetamide","","- C9 H11 N S -","- C9 H11 N S -","- C36 H44 N4 S4 -","4","1","AV3158","Śmiszek-Lindert, Wioleta; Lindert, Olaf; Nowak, Maria; Kusz, Joachim","3'-Methylacetanilide and <i>N</i>-benzylthioacetamide at low temperature","Acta Crystallographica Section C","2008","64","11","o599","o603","10.1107/S0108270108033374","","","0.71073","MoKα","","0.0226","0.0213","","","0.0646","0.0657","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016822","8.321","0.001","10.977","0.002","15.365","0.003","71.62","0.02","75.16","0.03","71.89","0.02","1246.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[di-μ~5~-adipato-μ~4~-adipato-bis(2-phenyl-1<i>H</i>-1,3,7,8- tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^N^7^,N^8^)tricadmium(II)]","","- C56 H48 Cd3 N8 O12 -","- C56 H48 Cd3 N8 O12 -","- C56 H48 Cd3 N8 O12 -","1","0.5","AV3161","Kong, Zhi-Guo; Wang, Jia-Jun; Wang, Xiu-Yan","A novel cadmium(II) coordination polymer with a four-connected (4,4)-net based on a trinuclear cadmium(II) node","Acta Crystallographica Section C","2008","64","11","m365","m368","10.1107/S010827010803182X","","","0.71073","MoKα","","0.044","0.0311","","","0.064","0.0685","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016823","17.8007","0.0003","6.8163","0.0002","13.9992","0.0003","90","","117.809","0.001","90","","1502.42","0.06","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","synthesized at ISM","2,3-diethoxy-9,10-anthraquinone","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","0.5","DN3097","Allouchi, Hassan; Bravic, Georges; Lahrahar, Nacer; Desvergne, Jean-Pierre; Bouas-Laurent, Henri","2,3-Diethoxy-9,10-anthraquinone","Acta Crystallographica Section C","2008","64","11","o620","o622","10.1107/S0108270108034227","","","0.71073","MoKα","","0.0629","0.0486","","","0.1335","0.1486","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016824","17.483","0.003","5.8363","0.0009","13.086","0.002","90","","99.033","0.006","90","","1318.7","0.4","166","2","166","2","","","","","","","","5","C 1 2 1","C 2y","5","Rasagiline ethanedisulfonate","bis[(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-aminium] ethanedisulfonate","","- C26 H32 N2 O6 S2 -","- C26 H32 N2 O6 S2 -","- C52 H64 N4 O12 S4 -","2","0.5","DN3098","Brüning, Jürgen; Bats, Jan W.; Schmidt, Martin U.","Rasagiline ethanedisulfonate: an inhibitor for monoamine oxygenase B (MAO~B~)","Acta Crystallographica Section C","2008","64","11","o613","o615","10.1107/S0108270108032526","","","0.71073","MoKα","","0.1144","0.0557","","","0.0985","0.1166","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016825","16.32","0.002","8.7378","0.0009","7.3854","0.0008","90","","90","","90","","1053.2","0.2","295","2","293","2","","","","","","","Synthetic","5","P n c a","-P 2a 2n","60","sodium titanosilicate hydrate","disodium titanium tetrasilicate dihydrate","Penkvilksite","- H4 Na2 O13 Si4 Ti -","- H2 Na2 O13 Si4 Ti -","- H8 Na8 O52 Si16 Ti4 -","4","0.5","FA3162","Cadoni, Marcella; Ferraris, Giovanni","Penkvilksite-2<i>O</i>: Na~2~TiSi~4~O~11~·2H~2~O","Acta Crystallographica Section C","2008","64","11","i87","i90","10.1107/S0108270108031806","","","0.71073","MoKα","","0.0868","0.0756","","","0.1568","0.161","","","","","","1.23","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016826","7.2418","0.0009","13.4867","0.0017","12.9531","0.0016","90","","90.229","0.002","90","","1265.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[chlorido[μ~4~-2,2'-(2-methylbenzimidazolium-1,3- diyl)diacetato]cadmium(II)]","","- C12 H11 Cd Cl N2 O4 -","- C12 H11 Cd Cl N2 O4 -","- C48 H44 Cd4 Cl4 N8 O16 -","4","1","FA3164","Gui, Liu-Cheng; Li, Fa-Si; Cen, Zhong-Min; Wang, Xiu-Jian; Li, Bin","A coordination polymer of CdCl~2~ with the novel zwitterionic dicarboxylate ligand 2,2'-(2-methylbenzimidazolium-1,3-diyl)diacetate (pda)","Acta Crystallographica Section C","2008","64","11","m378","m380","10.1107/S0108270108032861","","","0.71073","MoKα","","0.0424","0.0315","","","0.1048","0.1251","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016827","11.983","0.0006","17.5374","0.0008","14.0363","0.0007","90","","107.289","0.003","90","","2816.5","0.2","106","2","106","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-cyano-4-[3-(1-decyl-1,4-dihydroquinolin-4-ylidene)prop-1-enyl]- 5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile","","- C32 H36 N4 O -","- C32 H36 N4 O -","- C128 H144 N16 O4 -","4","1","FG3060","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. III. Structural parameters of two chromophores containing aromatizable donors","Acta Crystallographica Section C","2008","64","11","o616","o619","10.1107/S0108270108033404","","","0.71073","MoKα","","0.1742","0.0554","","","0.1272","0.2025","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016828","12.5261","0.0007","9.8849","0.0005","24.3711","0.0013","90","","92.211","0.003","90","","3015.4","0.3","97","2","97","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-cyano-4-[5-(1-decyl-1,4-dihydroquinolin-4-ylidene)penta-1,3-dienyl]-5,5- dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile","","- C34 H38 N4 O -","- C34 H38 N4 O -","- C136 H152 N16 O4 -","4","1","FG3060","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. III. Structural parameters of two chromophores containing aromatizable donors","Acta Crystallographica Section C","2008","64","11","o616","o619","10.1107/S0108270108033404","","","0.71073","MoKα","","0.1147","0.0544","","","0.1265","0.1476","","","","","","0.951","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016829","7.5228","0.001","13.8222","0.0018","30.755","0.004","90","","90","","90","","3198","0.7","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","2,4,6-trifluorobenzonitrile","","- C7 H2 F3 N -","- C7 H2 F3 N -","- C140 H40 F60 N20 -","20","1.25","FN3002","Britton, Doyle","2,4,6-Trifluorobenzonitrile","Acta Crystallographica Section C","2008","64","11","o583","o585","10.1107/S0108270108031739","","","0.71073","MoKα","","0.0454","0.0399","","","0.1222","0.1269","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016830","14.539","0.003","17.472","0.004","22.623","0.004","90","","90","","90","","5747","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')silver(I)] hydrogen 3-phosphonatobenzenesulfonate trihydrate]","","- C26 H27 Ag2 N4 O9 P S -","- C26 H27 Ag2 N4 O9 P S -","- C208 H216 Ag16 N32 O72 P8 S8 -","8","1","GA3106","Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun","Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]","Acta Crystallographica Section C","2008","64","11","m353","m357","10.1107/S0108270108028072","","","0.71073","MoKα","","0.0393","0.0359","","","0.0766","0.0783","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016831","14.9569","0.0008","22.5625","0.0011","12.1697","0.0007","90","","90","","90","","4106.8","0.4","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-tetraaquacobalt(II)] hydrogen 3-phosphonatobenzenesulfonate]","","- C16 H21 Co N2 O10 P S -","- C16 H21 Co N2 O10 P S -","- C128 H168 Co8 N16 O80 P8 S8 -","8","","GA3106","Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun","Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]","Acta Crystallographica Section C","2008","64","11","m353","m357","10.1107/S0108270108028072","","","0.71073","MoKα","","0.0427","0.0398","","","0.0902","0.0922","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016832","3.923","0.004","10.701","0.009","10.754","0.009","90","","93.4","0.08","90","","450.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-diamino-1,2,4-thiadiazole","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","1","GD3250","Hołyńska, Małgorzata; Kubiak, Maria","Products of the oxidation of 1-(diaminomethylene)thiourea with hydrogen peroxide","Acta Crystallographica Section C","2008","64","11","o609","o612","10.1107/S0108270108032769","","","0.71073","MoKα","","0.0287","0.0245","","","0.0584","0.0598","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016833","6.84","0.006","7.374","0.007","8.019","0.004","76.48","0.08","66.48","0.06","78.43","0.08","358","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)uronium hydrogen sulfate","","- C2 H8 N4 O5 S -","- C2 H8 N4 O5 S -","- C4 H16 N8 O10 S2 -","2","1","GD3250","Hołyńska, Małgorzata; Kubiak, Maria","Products of the oxidation of 1-(diaminomethylene)thiourea with hydrogen peroxide","Acta Crystallographica Section C","2008","64","11","o609","o612","10.1107/S0108270108032769","","","0.71073","MoKα","","0.0295","0.0273","","","0.0759","0.0772","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016834","24.323","0.002","5.4408","0.0004","27.066","0.002","90","","111.328","0.009","90","","3336.5","0.5","233","2","233","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","europium ethanesulfonate trihydrate","catena-poly[[triaquabis(ethanesulfonato-κO)europium(III)]-μ-ethanesulfonato- κ^2^O:O']","","- C6 H21 Eu O12 S3 -","- C6 H21 Eu O12 S3 -","- C48 H168 Eu8 O96 S24 -","8","1","GG3175","Wallus, Sarah; Frank, Walter","The first structural characterization of a rare earth ethanesulfonate","Acta Crystallographica Section C","2008","64","11","m384","m386","10.1107/S0108270108033180","","","0.71073","MoKα","","0.0253","0.0214","","","0.0495","0.0498","","","","","","1.219","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016835","27.1406","0.0016","23.1672","0.0013","9.7838","0.0006","90","","108.819","0.003","90","","5822.9","0.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)manganate(II/III)] hydroxide pyridine-2,6-dicarboxylic acid solvate pentahydrate","","- C44 H54 Mn2 N23 O28 -","- C44 H54 Mn2 N23 O28 -","- C176 H216 Mn8 N92 O112 -","4","0.5","GZ3154","Aghabozorg, Hossein; Derikvand, Zohreh; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar","Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)manganate(II/III)] hydroxide pyridine-2,6-dicarboxylic acid solvate pentahydrate","Acta Crystallographica Section C","2008","64","11","m372","m374","10.1107/S0108270108032204","","","0.71073","MoKα","","0.0819","0.0778","","","0.1878","0.1893","","","","","","1.332","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016836","13.5385","0.0017","15.0756","0.0019","19.224","0.003","90","","100.42","0.003","90","","3858.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Aminopyridine-κN^1^)(phthalocyaninato-κ^4^N)zinc(II) tetrahydrofuran disolvate","","- C45 H38 N10 O2 Zn -","- C45 H38 N10 O2 Zn -","- C180 H152 N40 O8 Zn4 -","4","1","HJ3088","Yang, Feng-Ju; Fang, Xin; Yu, Hai-Yang; Wang, Jun-Dong","(4-Aminopyridine-κ<i>N</i>^1^)(phthalocyaninato-κ^4^<i>N</i>)zinc(II) tetrahydrofuran disolvate","Acta Crystallographica Section C","2008","64","11","m375","m377","10.1107/S0108270108032472","","","0.71069","MoKα","","0.047","0.0438","","","0.1174","0.1208","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016837","4.7982","0.0003","5.5801","0.0003","6.7217","0.0003","74.266","0.003","86.33","0.003","69.924","0.003","162.617","0.016","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Dicadmium copper dis(phosphate)","dicadmium copper(II) bis[phosphate(V)]","","- Cd2 Cu O8 P2 -","- Cd2 Cu O8 P2 -","- Cd2 Cu O8 P2 -","1","0.5","KU3001","Stojanović, Jovica; Dordević, Tamara; Karanović, Ljiljana","Cd~2~Cu(PO~4~)~2~","Acta Crystallographica Section C","2008","64","11","i91","i94","10.1107/S0108270108032332","","","0.71073","MoKα","","0.0207","0.0177","","","0.0424","0.0433","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016838","5.7386","0.0003","15.0677","0.0006","15.4981","0.0007","88.411","0.002","88.55","0.002","83.009","0.002","1329.28","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>S</i>-(2,2,5,5-tetramethyl-1-oxyl-Δ^3^-pyrrolin-3-ylmethyl) methanethiosulfonate","","- C10 H18 N O3 S2 -","- C10 H18 N O3 S2 -","- C40 H72 N4 O12 S8 -","4","2","LN3113","Zielke, Vitali; Eickmeier, Henning; Hideg, Kalman; Reuter, Hans; Steinhoff, Heinz-Jürgen","A commonly used spin label: <i>S</i>-(2,2,5,5-tetramethyl-1-oxyl-Δ^3^-pyrrolin-3-ylmethyl) methanethiosulfonate","Acta Crystallographica Section C","2008","64","11","o586","o589","10.1107/S0108270108032113","","","0.71073","MoKα","","0.0427","0.0345","","","0.0857","0.0905","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016839","8.7633","0.0002","12.448","0.0002","16.2201","0.0003","90","","96.158","0.001","90","","1759.17","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[hexaaquaocta-μ~3~-hydroxido-tetrakis(μ~3~-methylenedisulfonato)-μ~6~- oxido-hexaytterbium(III)]","","- C4 H28 O39 S8 Yb6 -","- C4 H28 O39 S8 Yb6 -","- C8 H56 O78 S16 Yb12 -","2","0.5","MX3004","Zhang, Zai-Chao","Poly[hexaaquaocta-μ~3~-hydroxido-tetrakis(μ~3~-methylenedisulfonato)-μ~6~-oxido-hexaytterbium(III)]: the first lanthanide sulfonate containing a hexanuclear Ln‒hydroxide/oxide cluster synthesized <i>via</i> `ligand-controlled acidolysis' of lanthanide oxide","Acta Crystallographica Section C","2008","64","11","m381","m383","10.1107/S0108270108033684","","","0.71073","MoKα","","0.029","0.0276","","","0.0737","0.0749","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016840","5.3532","0.0001","10.8585","0.0003","8.9913","0.0002","90","","90.022","0.001","90","","522.64","0.02","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(glycinium) pentafluoridooxidoniobate(V)","bis(glycinium) pentafluoridooxidoniobate(V)","","- C4 H12 F5 N2 Nb O5 -","- C4 H12 F5 N2 Nb O5 -","- C8 H24 F10 N4 Nb2 O10 -","2","0.5","SF3082","Gerasimenko, A. V.; Pushilin, M. A.; Davidovich, R. L.","Disordering of the [NbOF~5~]^2{-^} complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate","Acta Crystallographica Section C","2008","64","11","m358","m361","10.1107/S0108270108026413","","","0.71073","MoKα","","0.0311","0.0278","","","0.0729","0.0748","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016841","6.9552","0.0008","7.2092","0.0008","8.0205","0.0009","74.609","0.002","86.223","0.002","74.016","0.002","372.74","0.07","203","2","203","2","","","","","","","","6","P -1","-P 1","2","bis(β-alaninium) pentafluoridooxidoniobate(V)dihydrate","bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate","","- C6 H20 F5 N2 Nb O7 -","- C6 H20 F5 N2 Nb O7 -","- C6 H20 F5 N2 Nb O7 -","1","0.5","SF3082","Gerasimenko, A. V.; Pushilin, M. A.; Davidovich, R. L.","Disordering of the [NbOF~5~]^2{-^} complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate","Acta Crystallographica Section C","2008","64","11","m358","m361","10.1107/S0108270108026413","","","0.71073","MoKα","","0.0272","0.0252","","","0.0631","0.0639","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016842","8.9023","0.0002","14.3095","0.0003","10.6151","0.0002","90","","105.817","0.002","90","","1301.03","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3- dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C48 H56 N8 O16 S4 -","4","1","SF3092","Karczmarzyk, Zbigniew","Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","Acta Crystallographica Section C","2008","64","11","o590","o594","10.1107/S010827010803206X","","","0.71073","MoKα","","0.0357","0.0343","","","0.111","0.1129","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016843","12.9699","0.0004","15.2714","0.0005","16.6176","0.0006","90","","90","","90","","3291.42","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3- dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C136 H128 N16 O32 S8 -","8","1","SF3092","Karczmarzyk, Zbigniew","Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","Acta Crystallographica Section C","2008","64","11","o590","o594","10.1107/S010827010803206X","","","0.71073","MoKα","","0.0454","0.0386","","","0.1213","0.1289","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016844","8.4655","0.0007","11.5938","0.0009","13.0982","0.0011","68.331","0.002","86.752","0.001","72.289","0.001","1135.83","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","indole urea","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>-[4-(1H-indol-3-yl)butanoyl]urea","","- C25 H35 N3 O2 -","- C25 H35 N3 O2 -","- C50 H70 N6 O4 -","2","1","SK3261","Basu, Sharmila; Ghosh, Soumen; Ghosh, Somnath; Helliwell, Madeleine; Mukherjee, Alok K.","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>-[4-(1<i>H</i>-indol-3-yl)butanoyl]urea","Acta Crystallographica Section C","2008","64","11","o595","o598","10.1107/S0108270108031740","","","0.71073","MoKα","","0.0422","0.0356","","","0.0967","0.1004","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016845","11.993","0.002","13.516","0.003","14.196","0.003","62.13","0.03","70.55","0.02","82.24","0.03","1917.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[(μ~4~-biphenyl-2,2'-dicarboxylato)(dipyrido[3,2-a:2',3'- c]phenazine)manganese(II)]","","- C46 H26 Mn2 N4 O8 -","- C46 H26 Mn2 N4 O8 -","- C92 H52 Mn4 N8 O16 -","2","1","SK3265","Che, Guang-Bo; Wang, Jian; Liu, Chun-Bo; Li, Xiu-Ying; Liu, Bo","A one-dimensional chain structure based on unusual tetranuclear manganese(II) clusters","Acta Crystallographica Section C","2008","64","11","m362","m364","10.1107/S0108270108031272","","","0.71073","MoKα","","0.104","0.0562","","","0.1219","0.1419","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016846","10.815","0.002","12.963","0.003","6.3422","0.0013","90","","105.33","0.03","90","","857.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~2~-aqua-κ^2^<i>O</i>:<i>O</i>)(μ~3~-azido- κ^3^<i>N</i>^1^:<i>N</i>^3^:<i>N</i>^3^)(μ~2~-isonicotinato- κ^2^<i>O</i>:<i>O</i>')lead(II)]","","- C6 H6 N4 O3 Pb -","- C6 H6 N4 O3 Pb -","- C24 H24 N16 O12 Pb4 -","4","1","SQ3167","Huang, Gansheng; Liu, Dongsheng; Huang, Xihe; Huang, Changcang; Qin, Xiaohuan","Poly[(μ~2~-aqua-κ^2^<i>O</i>:<i>O</i>)(μ~3~-azido-κ^3^<i>N</i>^1^:<i>N</i>^1^:<i>N</i>^3^)(μ~2~-isonicotinato-κ^2^<i>O</i>:<i>O</i>')lead(II)]","Acta Crystallographica Section C","2008","64","11","m369","m371","10.1107/S0108270108031065","","","0.71073","MoKα","","0.046","0.0447","","","0.1254","0.1273","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016847","10.1172","0.0005","10.2052","0.0005","20.2764","0.001","104.171","0.0012","98.9405","0.001","101.063","0.0012","1946.49","0.17","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,2-Dibromo-4,5-dimethoxybenzene","","- C8 H8 Br2 O2 -","- C8 H8 Br2 O2 -","- C64 H64 Br16 O16 -","8","4","UK3001","Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo","Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene","Acta Crystallographica Section C","2008","64","11","o604","o608","10.1107/S010827010803309X","","","0.71073","MoKα","","0.0784","0.0356","","","0.0816","0.0966","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016848","8.993","0.004","13.882","0.009","16.506","0.004","90","","90","","90","","2060.6","1.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Diiodo-4,5-dimethoxybenzene","","- C8 H8 I2 O2 -","- C8 H8 I2 O2 -","- C64 H64 I16 O16 -","8","1","UK3001","Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo","Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene","Acta Crystallographica Section C","2008","64","11","o604","o608","10.1107/S010827010803309X","","","0.71073","MoKα","","0.0752","0.0419","","","0.1029","0.1083","","","","","","1.411","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016849","15.137","0.006","11.966","0.002","11.168","0.002","90","","112.9","0.02","90","","1863.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-pyridone","","- C5 H5 N O -","- C5 H5 N O -","- C80 H80 N16 O16 -","16","2","AV3155","Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim","Two polymorphs of anhydrous 4-pyridone at 100K","Acta Crystallographica Section C","2008","64","12","o661","o664","10.1107/S0108270108033660","","","0.71073","MoKα","","0.0687","0.0654","","","0.1722","0.1764","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016850","11.953","0.002","11.146","0.002","13.914","0.003","90","","90","","90","","1853.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-pyridone","","- C5 H5 N O -","- C5 H5 N O -","- C80 H80 N16 O16 -","16","2","AV3155","Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim","Two polymorphs of anhydrous 4-pyridone at 100K","Acta Crystallographica Section C","2008","64","12","o661","o664","10.1107/S0108270108033660","","","0.71073","MoKα","","0.0462","0.0372","","","0.1043","0.111","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016851","7.8769","0.0016","8.8723","0.0018","11.13","0.002","102.88","0.03","98.22","0.03","109.7","0.03","693.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1-(2-pyridylmethyl)- 1<i>H</i>-benzotriazole]","","- C12 H10 Cl2 Hg N4 -","- C12 H10 Cl2 Hg N4 -","- C24 H20 Cl4 Hg2 N8 -","2","1","BG3087","Liu, Chun-Sen; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Fang, Shao-Ming","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1-(2-pyridylmethyl)-1<i>H</i>-benzotriazole]: the effect of different metal centers on the self-assembly of coordination complexes","Acta Crystallographica Section C","2008","64","12","m394","m397","10.1107/S0108270108038146","","","0.71073","MoKα","","0.059","0.052","","","0.1139","0.1204","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016852","9.4019","0.0006","13.4089","0.0008","18.0173","0.0011","90","","90","","90","","2271.4","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","eletriptan hydrobromide monohydrate","(1S,2R)-1-methyl-2-{5-[2-(phenylsulfonyl)ethyl]-1<i>H</i>-indol-3- ylmethyl}pyrrolidinium bromide monohydrate","","- C22 H29 Br N2 O3 S -","- C22 H29 Br N2 O3 S -","- C88 H116 Br4 N8 O12 S4 -","4","1","DN3101","Ravikumar, K.; Sridhar, B.; Krishnan, Harihara; Singh, A. N.","Halide salts of antimigraine agents eletriptan and naratriptan","Acta Crystallographica Section C","2008","64","12","o653","o656","10.1107/S0108270108037621","","","0.71073","MoKα","","0.0252","0.0236","","","0.0656","0.0663","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016853","6.1914","0.0005","12.2298","0.001","12.9948","0.0011","78.348","0.001","76.338","0.001","86.033","0.001","936.18","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","naratriptan hydrochloride","1-methyl-4-{5-[2-(methylsulfamoyl)ethyl]-1<i>H</i>-indol-3-yl}piperidinium chloride","","- C17 H26 Cl N3 O2 S -","- C17 H26 Cl N3 O2 S -","- C34 H52 Cl2 N6 O4 S2 -","2","1","DN3101","Ravikumar, K.; Sridhar, B.; Krishnan, Harihara; Singh, A. N.","Halide salts of antimigraine agents eletriptan and naratriptan","Acta Crystallographica Section C","2008","64","12","o653","o656","10.1107/S0108270108037621","","","0.71073","MoKα","","0.0393","0.0361","","","0.094","0.0966","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016856","9.1704","0.0009","18.2328","0.0019","15.3594","0.0015","90","","93.843","0.002","90","","2562.3","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2-(2-{Bis[2-(1H-imidazol-2- ylmethyleneamino)ethyl]amino}ethyliminomethyl)imidazolido]cobalt(III) bis(tetrafluoridoborate) monohydrate","","- C18 H25 B2 Co F8 N10 O -","- C18 H25 B2 Co F8 N10 O -","- C72 H100 B8 Co4 F32 N40 O4 -","4","1","FG3063","Atria, Ana María; Corsini, Gino; Talamilla, Arlyn; Garland, Maria Teresa; Baggio, Ricardo","[2-(2-{Bis[2-(1<i>H</i>-imidazol-2-ylmethyleneamino)ethyl]amino}ethyliminomethyl)imidazolido]cobalt(III) bis(tetrafluoridoborate) monohydrate","Acta Crystallographica Section C","2008","64","12","m387","m389","10.1107/S0108270108033714","","","0.71073","MoKα","","0.1175","0.0662","","","0.1654","0.1942","","","","","","0.926","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016857","16.2963","0.0002","23.3235","0.0005","7.4094","0.0007","90","","90","","90","","2816.2","0.3","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-phenylpropylammonium benzoate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","FG3065","Lemmerer, Andreas","The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules","Acta Crystallographica Section C","2008","64","12","o626","o629","10.1107/S0108270108036500","","","0.71073","MoKα","","","0.049","","","","0.1333","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016858","6.9616","0.0002","12.8517","0.0003","17.7512","0.0003","90","","90","","90","","1588.17","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-phenylpropylammonium 3-iodobenzoate","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","FG3065","Lemmerer, Andreas","The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules","Acta Crystallographica Section C","2008","64","12","o626","o629","10.1107/S0108270108036500","","","0.71073","MoKα","","","0.0232","","","","0.0505","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016859","9.9821","0.0011","9.9821","0.0011","11.3122","0.0012","90","","90","","90","","1127.2","0.2","298","2","298","2","","","","","","","Jas Roux, France","8","I -4 2 m","I -4 2","121","routhierite","Routhierite","Routhierite","- Ag0.35 As1.7 Cu0.65 Hg1.7 S6 Sb0.3 Tl Zn0.3 -","- Ag0.356 As1.696 Cu0.644 Hg1.702 S6 Sb0.304 Tl Zn0.298 -","- Ag1.424 As6.784 Cu2.576 Hg6.808 S24 Sb1.216 Tl4 Zn1.192 -","4","0.25","FN3007","Bindi, Luca","Routhierite, Tl(Cu,Ag)(Hg,Zn)~2~(As,Sb)~2~S~6~","Acta Crystallographica Section C","2008","64","12","i95","i96","10.1107/S0108270108037980","","","0.71073","MoKα","","0.0117","0.0113","","","0.011","0.0111","","","","","","0.879","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016860","27.419","0.004","10.586","0.0013","21.58","0.003","90","","122.625","0.011","90","","5275.4","1.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-Butyl-7-(4-chlorobenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione ethanol hemisolvate","","- C31 H37 Cl N3 O2.5 -","- C31 H37 Cl N3 O2.5 -","- C248 H296 Cl8 N24 O20 -","8","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.0685","0.0511","","","0.1196","0.1323","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016861","27.4453","0.0007","10.5519","0.0008","21.715","0.002","90","","122.484","0.007","90","","5304.7","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-Butyl-7-(4-bromobenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione ethanol hemisolvate","","- C31 H37 Br N3 O2.5 -","- C31 H37 Br N3 O2.5 -","- C248 H296 Br8 N24 O20 -","8","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.1237","0.0692","","","0.1752","0.2055","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016862","27.281","0.005","10.6438","0.0015","21.567","0.003","90","","122.082","0.012","90","","5306.1","1.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-Butyl-4',4'-dimethyl-7-(4-methylbenzyl)-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione ethanol hemisolvate","","- C32 H40 N3 O2.5 -","- C32 H40 N3 O2.5 -","- C256 H320 N24 O20 -","8","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.1395","0.0636","","","0.1397","0.1779","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016863","10.327","0.0012","11.997","0.0014","12.427","0.003","75.016","0.013","70.059","0.011","84.481","0.009","1398","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-Butyl-4',4'-dimethyl-1-phenyl-7-[4-(trifluoromethyl)benzyl]- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione ethanol hemisolvate","","- C32 H37 F3 N3 O2.5 -","- C32 H37 F3 N3 O2.5 -","- C64 H74 F6 N6 O5 -","2","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.1571","0.069","","","0.1693","0.2237","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016864","9.8831","0.0003","11.2094","0.0003","14.7584","0.0004","102.853","0.002","101.899","0.001","98.733","0.001","1525.91","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","<i>cyclo</i>-bis{5-(oxymethyl)-4-{(<i>E</i>)-[(2-oxyphenyl)imino]methyl}- 2-methylpyridin-3-ol}diphenylsilane} chloroform tetrasolvate","9,27-dimethyl-3,3,21,21-tetraphenyl-2,4,20,22-tetraoxa-8,13,26,31-tetraaza- 3,21-disilapentacyclo[30.4.0.0^6,11^.0^14,19^.0^24,29^]hexatrideca- 1(32),6,8,10,12,14,16,18,24,26,28,30,33,35-tetradecaene-10,28-diol chloroform tetrasolvate","","- C56 H48 Cl12 N4 O6 Si2 -","- C56 H48 Cl12 N4 O6 Si2 -","- C56 H48 Cl12 N4 O6 Si2 -","1","0.5","GA3110","Böhme, Uwe; Günther, Betty; Schwarzer, Anke","Formation of a silicon-containing macrocycle with a pyridoxalimine Schiff base ligand","Acta Crystallographica Section C","2008","64","12","o630","o632","10.1107/S0108270108036238","","","0.71073","MoKα","","0.0581","0.043","","","0.1068","0.1139","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016865","27.7623","0.0006","14.3663","0.0003","12.6076","0.0002","90","","93.491","0.001","90","","5019.1","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(<i>tert</i>-butyldimethylsilyloxy)-9-oxabicyclo[3.3.1]nonane-3,7-diol","","- C20 H42 O5 Si2 -","- C20 H42 O5 Si2 -","- C160 H336 O40 Si16 -","8","2","GD3255","Foces-Foces, C.; López-Rodríguez, M.","Hydrogen-bonded layered structures in two bis(<i>tert</i>-butyldimethylsilyloxy)-substituted cyclic diol derivatives","Acta Crystallographica Section C","2008","64","12","o657","o660","10.1107/S0108270108038286","","","0.7107","MoKα","","0.0765","0.0633","","","0.141","0.157","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016866","15.0964","0.0017","13.6368","0.0015","24.291","0.002","90","","106.676","0.009","90","","4790.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,8-Bis(<i>tert</i>-butyldimethylsilyloxy)-2,6-dioxatricyclo[3.3.1^3,7^]decane- 1,3-diol","","- C20 H40 O6 Si2 -","- C20 H40 O6 Si2 -","- C160 H320 O48 Si16 -","8","2","GD3255","Foces-Foces, C.; López-Rodríguez, M.","Hydrogen-bonded layered structures in two bis(<i>tert</i>-butyldimethylsilyloxy)-substituted cyclic diol derivatives","Acta Crystallographica Section C","2008","64","12","o657","o660","10.1107/S0108270108038286","","","0.71069","MoKα","","0.0625","0.0438","","","0.1041","0.1121","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016867","12.4594","0.0006","7.3115","0.0004","9.5878","0.0005","90","","93.843","0.002","90","","871.45","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.0318","0.0304","","0.0712","0.0702","0.0712","","","","","","0.9789","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016868","12.4267","0.0003","7.30208","0.00018","9.5708","0.0002","90","","93.839","0.002","90","","866.51","0.04","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.029","0.0264","","0.0643","0.0637","0.0643","","","","","","1.0081","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016869","12.419","0.0004","7.2933","0.0002","9.5671","0.0003","90","","93.841","0.003","90","","864.6","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","1.54184","CuKα","","0.0266","0.0264","","0.0709","0.0707","0.0709","","","","","","1.0562","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016870","12.4567","0.0005","7.3097","0.0003","9.592","0.0005","90","","93.8151","0.0016","90","","871.46","0.07","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.0313","0.0285","","0.0671","0.0652","0.0671","","","","","","1.0052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016871","10.7178","0.0008","17.9925","0.0014","15.3662","0.0012","90","","94.006","0.002","90","","2956","0.4","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-bis(imidazol-1-ylmethyl)benzene dihydrate","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C112 H144 N32 O16 -","8","1","SK3264","Xu, Xing-Man; Su, Ping; Meng, Xiang-Gao","A new polymorph of 1,4-bis(imidazol-1-ylmethyl)benzene dihydrate and its hydrogen-bonded fivefold interpenetrated CdSO~4~ network","Acta Crystallographica Section C","2008","64","12","o675","o678","10.1107/S0108270108039504","","","0.71073","Mokα","","0.0873","0.0565","","","0.1233","0.1397","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016872","17.3","0.003","8.6107","0.0017","9.6027","0.0019","90","","92.41","0.03","90","","1429.2","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[aqua(2,2-dimethylmalonato)barium(II)] 2,2-dimethylmalonic acid solvate]","","- C10 H16 Ba O9 -","- C10 H16 Ba O9 -","- C40 H64 Ba4 O36 -","4","1","SK3267","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[aqua(μ-2,2-dimethylmalonato)barium(II)] 2,2-dimethylmalonic acid solvate]","Acta Crystallographica Section C","2008","64","12","m398","m400","10.1107/S0108270108038857","","","0.71073","MoKα","","0.0258","0.024","","","0.0669","0.0681","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016873","13.1521","0.0012","11.9082","0.0011","15.9668","0.0015","90","","98.391","0.002","90","","2473.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,4'-ethylenedicarboxylato-bis[acetatoaqua(dipyrido[3,2-a:2',3'- c]phenazine)zinc(II)] dihydrate","","- C56 H44 N8 O12 Zn2 -","- C56 H44 N8 O12 Zn2 -","- C112 H88 N16 O24 Zn4 -","2","0.5","SK3269","Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng","Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates","Acta Crystallographica Section C","2008","64","12","m401","m404","10.1107/S0108270108038328","","","0.71073","MoKα","","0.0863","0.0459","","","0.1006","0.1156","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016874","11.2278","0.0011","11.3944","0.0011","11.8165","0.0011","84.345","0.002","69.421","0.002","83.982","0.001","1404.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline)zinc(II)]-μ- 4,4'-ethylenedicarboxylato] N,N-dimethylformamide hemisolvate]","","- C31.5 H23.5 N4.5 O5.5 Zn -","- C31.5 H23.5 N4.5 O5.5 Zn -","- C63 H47 N9 O11 Zn2 -","2","1","SK3269","Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng","Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates","Acta Crystallographica Section C","2008","64","12","m401","m404","10.1107/S0108270108038328","","","0.71073","MoKα","","0.0647","0.0453","","","0.1083","0.1194","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016875","4.7069","0.0009","16.036","0.003","19.104","0.004","90","","91.08","0.03","90","","1441.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Benzylformamide","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","2","SK3271","Michta, Anna; Nowak, Maria; Kusz, Joachim","<i>N</i>-Benzylformamide at 150K","Acta Crystallographica Section C","2008","64","12","o633","o636","10.1107/S0108270108037578","","","0.71073","MoKα","","0.1092","0.066","","","0.1342","0.1419","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016876","7.022","0.006","12.855","0.009","16.199","0.008","90","","93.851","0.005","90","","1458.9","1.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-phenyl-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepine","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C72 H60 N20 O4 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.0984","0.0846","","","0.2173","0.2254","","","","","","1.201","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016877","6.9115","0.001","12.8801","0.0014","16.56","0.002","90","","95.11","0.01","90","","1468.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-(2-fluorophenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine","","- C18 H14 F N5 O -","- C18 H14 F N5 O -","- C72 H56 F4 N20 O4 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.0935","0.0598","","","0.1471","0.1712","","","","","","1.049","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2016878","7.047","0.004","13.502","0.007","16.418","0.005","90","","91.22","0.05","90","","1561.8","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-(3-nitrophenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.1619","0.0611","","","0.1392","0.1823","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016879","7.6718","0.0018","13.2928","0.0015","15.969","0.002","90","","95.343","0.012","90","","1621.4","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-(4-methoxyphenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C76 H68 N20 O8 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.2114","0.0693","","","0.1477","0.1892","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016880","9.5971","0.0008","11.2549","0.0016","12.1452","0.0014","86.979","0.011","85.487","0.01","87.216","0.007","1304.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-Butyl-7-(4-methoxybenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione","","- C31 H37 N3 O3 -","- C31 H37 N3 O3 -","- C62 H74 N6 O6 -","2","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.1417","0.0604","","","0.1445","0.199","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016881","12.4683","0.0015","10.2892","0.0012","21.7635","0.0016","90","","90.843","0.01","90","","2791.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(2,3-dimethoxybenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione","","- C32 H39 N3 O4 -","- C32 H39 N3 O4 -","- C128 H156 N12 O16 -","4","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.1028","0.0614","","","0.124","0.1379","","","","","","1.182","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016882","9.2691","0.0014","11.0898","0.0011","12.802","0.002","92.844","0.01","95.185","0.012","91.07","0.011","1308.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-4',4'-dimethyl-7-(3,4-methylenedioxobenzyl)-1-phenyl- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione","","- C31 H35 N3 O4 -","- C31 H35 N3 O4 -","- C62 H70 N6 O8 -","2","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.1695","0.0626","","","0.1289","0.1712","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016883","13.577","0.0017","17.476","0.003","26.67","0.003","90","","90","","90","","6328","1.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-7-(3,4,5-trimethoxybenzyl)- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione ethanol 0.67-solvate","","- C34.34 H45.02 N3 O5.67 -","- C34.34 H45.02 N3 O5.67 -","- C274.72 H360.16 N24 O45.36 -","8","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.13","0.0866","","","0.1877","0.2056","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016884","11.9298","0.0018","10.5678","0.001","19.614","0.002","90","","96.627","0.01","90","","2456.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro- 1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","","- C29 H30 F3 N3 O2 -","- C29 H30 F3 N3 O2 -","- C116 H120 F12 N12 O8 -","4","1","SK3277","Trilleras, Jorge; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in 3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione and 3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2008","64","12","o671","o674","10.1107/S0108270108038808","","","0.71073","MoKα","","0.1067","0.0611","","","0.1272","0.1514","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016885","9.1904","0.001","11.9402","0.0014","22.2888","0.0016","90","","97.287","0.009","90","","2426.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro- 1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","","- C29 H33 N3 O3 -","- C29 H33 N3 O3 -","- C116 H132 N12 O12 -","4","1","SK3277","Trilleras, Jorge; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in 3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione and 3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2008","64","12","o671","o674","10.1107/S0108270108038808","","","0.71073","MoKα","","0.1269","0.0543","","","0.1088","0.1434","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016886","18.2621","0.001","14.706","0.001","28.934","0.002","90","","98.236","0.003","90","","7690.4","0.9","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[1,2-(diphenylphosphino)ethane]bromido{chloro[3- (triphenylphosphonio)cyclopentadienylidene]diazomethanediido}tungsten(IV) hexafluorophosphate dichloromethane 0.6-solvate","","- C76.6 H67.2 Br Cl2.2 F6 N2 P6 W -","- C76 H66 Br Cl F6 N2 P6 W -","- C304 H264 Br4 Cl4 F24 N8 P24 W4 -","4","1","SQ3171","Colquhoun, Howard M.; Chippindale, Ann M.; Chan, Yun Fu","A tungsten complex containing a highly delocalized metal‒ligand system","Acta Crystallographica Section C","2008","64","12","m390","m393","10.1107/S0108270108037232","","","0.71073","MoKα","","0.0856","0.0362","","0.0796","0.0369","0.0369","","","","","","1.0868","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016887","9.3198","0.0004","10.3218","0.0003","26.2663","0.001","90","","90","","90","","2526.74","0.16","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorpropamide, δ-form","4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C80 H104 Cl8 N16 O24 S8 -","8","1","TR3050","Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.","Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form","Acta Crystallographica Section C","2008","64","12","o623","o625","10.1107/S0108270108034550","","","1.5418","CuKα","","0.0984","0.0615","","","0.1499","0.1692","","","","","","0.925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016888","19.9121","0.001","7.3459","0.0004","9.1384","0.0004","90","","90","","90","","1336.69","0.12","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε-form","4-chloro-<i>N</i>-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","TR3050","Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.","Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form","Acta Crystallographica Section C","2008","64","12","o623","o625","10.1107/S0108270108034550","","","0.71073","MoKα","","0.0644","0.0347","","","0.0749","0.0803","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"9013896","10.39","","10.39","","7.575","","90","","90","","120","","708.181","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","Sr-Morelandite","","Morelandite","- As3 Ba2.951 Cl O12 Sr2.047 -","- As3 Ba2.951 Cl O12 Sr2.047 -","- As6 Ba5.902 Cl2 O24 Sr4.094 -","2","0.166667","","Dordevic, T.; Sutovic, S.; Stojanovic, J.; Karanovic, L.","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica, Section C","2008","64","","i82","i86","10.1107/S0108270108023457","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""