# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-22T12:59:34+02:00
# 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 = 69 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
"2018732","14.146","0.003","16.358","0.003","22.856","0.005","90","","90","","90","","5288.9","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tris(3,5-diphenylpyrazolato-κ^2^<i>N</i>,<i>N</i>')tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III) tetrahydrofuran monosolvate","","- C61 H65 La N6 O4 -","- C61 H65 La N6 O4 -","- C244 H260 La4 N24 O16 -","4","1","BI3050","Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong","Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries","Acta Crystallographica Section C","2013","69","1","25","28","10.1107/S0108270112049281","","","0.71073","MoKα","","0.0309","0.0294","","","0.053","0.0539","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018733","11.531","0.002","18.688","0.004","23.827","0.007","90","","108.38","0.03","90","","4873","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(3,5-diphenyl-1,2,4-triazolato- κ^2^<i>N</i>^1^,<i>N</i>^2^)tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III)","","- C54 H54 La N9 O3 -","- C54 H54 La N9 O3 -","- C216 H216 La4 N36 O12 -","4","1","BI3050","Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong","Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries","Acta Crystallographica Section C","2013","69","1","25","28","10.1107/S0108270112049281","","","0.71073","MoKα","","0.0288","0.0261","","","0.0618","0.0633","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018734","16.649","0.003","6.0854","0.001","9.8244","0.0016","90","","101.365","0.003","90","","975.8","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]","","- C8 H9 Na O5 S -","- C8 H9 Na O5 S -","- C32 H36 Na4 O20 S4 -","4","1","EG3104","Díaz de Vivar, M. Enriqueta; Baggio, Sergio; Baggio, Ricardo","An anisaldehyde sodium bisulfite derivative: poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]","Acta Crystallographica Section C","2013","69","1","52","55","10.1107/S0108270112047774","","","0.71073","MoKα","","0.0787","0.0505","","","0.1174","0.1323","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018735","11.6246","0.0005","11.6246","0.0005","11.5864","0.0005","90","","90","","120","","1355.92","0.1","200","2","200","2","","","","","","","","5","P 32","P 32","145","","(<i>S</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","","- C18 H21 N O3 Sn -","- C18 H21 N O3 Sn -","- C54 H63 N3 O9 Sn3 -","3","1","EG3106","Böhme, Uwe; Fels, Sabine","Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","Acta Crystallographica Section C","2013","69","1","44","46","10.1107/S0108270112050470","","","0.71073","MoKα","","0.0211","0.0206","","","0.0497","0.0501","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018736","8.3148","0.0005","8.6633","0.0005","12.432","0.0008","71.03","0.005","87.44","0.006","84.553","0.005","842.97","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","","- C18 H21 N O3 Sn -","- C18 H21 N O3 Sn -","- C36 H42 N2 O6 Sn2 -","2","1","EG3106","Böhme, Uwe; Fels, Sabine","Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","Acta Crystallographica Section C","2013","69","1","44","46","10.1107/S0108270112050470","","","0.71073","MoKα","","0.0348","0.0344","","","0.0954","0.096","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018737","7.4932","0.0008","10.5834","0.0011","11.4141","0.0012","102.69","0.002","100.459","0.002","101.986","0.002","838.99","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]- 1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole","","- C17 H10 F5 N5 O2 -","- C17 H10 F5 N5 O2 -","- C34 H20 F10 N10 O4 -","2","1","EM3056","Alvarez Thon, Luis; Bustos, Carlos; Diaz-Marín, Fernando; Garland, Maria Teresa; Baggio, Ricardo","3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2013","69","1","101","104","10.1107/S0108270112048573","","","0.71073","MoKα","","0.0536","0.0406","","","0.0999","0.1083","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018738","7.5892","0.0003","10.1399","0.0004","10.7325","0.0005","108.675","0.002","109.92","0.002","101.025","0.004","692.53","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[hydroxybis(pyridin-2-yl)methanesulfonato- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']copper(II) hexahydrate","","- C22 H30 Cu N4 O14 S2 -","- C22 H30 Cu N4 O14 S2 -","- C22 H30 Cu N4 O14 S2 -","1","0.5","FA3287","Haghjoo, Farhad; Pritchard, Robin","Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures","Acta Crystallographica Section C","2013","69","1","21","24","10.1107/S0108270112049748","","","0.71073","MoKα","","0.0744","0.0642","","","0.164","0.1722","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018739","7.73","0.0003","9.3475","0.0004","15.6518","0.0006","90","","98.499","0.002","90","","1118.52","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[hydroxybis(pyridin-2-yl)methanesulfonato- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']cobalt(II)","","- C22 H18 Co N4 O8 S2 -","- C22 H18 Co N4 O8 S2 -","- C44 H36 Co2 N8 O16 S4 -","2","0.5","FA3287","Haghjoo, Farhad; Pritchard, Robin","Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures","Acta Crystallographica Section C","2013","69","1","21","24","10.1107/S0108270112049748","","","0.71073","MoKα","","0.0641","0.0481","","","0.1138","0.1236","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018740","9.7292","0.0002","9.7292","0.0002","34.3125","0.0013","90","","90","","90","","3247.93","0.16","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl- κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","","- C38 H24 N10 Zn -","- C38 H24 N10 Zn -","- C152 H96 N40 Zn4 -","4","0.5","FA3291","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","A new polymorph of bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2013","69","1","47","51","10.1107/S0108270112050482","","","0.71073","MoKα","","0.0545","0.0383","","","0.0875","0.0901","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018741","6.5002","0.0004","10.8931","0.0007","11.8005","0.0008","103.793","0.006","102.111","0.006","95.836","0.006","783.22","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","asarinin","(1<i>RS</i>,3a<i>RS</i>,4<i>SS</i>,6a<i>RS</i>)-1,4-bis(benzo[<i>d</i>][1,3]dioxol-5-yl)hexahydrofuro[3,4-<i>c</i>]furan","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","FA3296","Negi, Devendra Singh; Negi, Nisha; Kumar, Ashok; Matsunami, Katsuyoshi; Schulz, Stefan; Jones, Peter G.","(±)-Asarinin","Acta Crystallographica Section C","2013","69","1","87","89","10.1107/S0108270112049657","","","1.54184","CuKα","","0.0351","0.0348","","","0.0857","0.086","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018742","11.9857","0.0002","7.9094","0.0002","11.6777","0.0002","90","","93.778","0.002","90","","1104.64","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","FA3297","Elgemeie, Galal H.; Sayed, Shahinaz H.; Jones, Peter G.","True symmetry or pseudosymmetry: 5-amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one and a comparison with its 1-phenylsulfonyl analogue","Acta Crystallographica Section C","2013","69","1","90","92","10.1107/S0108270112049906","","","0.71073","MoKα","","0.0342","0.031","","","0.0806","0.0826","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018743","13.022","0.003","4.9269","0.001","19.42","0.004","90","","92.54","0.03","90","","1244.7","0.5","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~- oxalato)dilanthanum(III)]","","- C9 H10 La N2 O9 -","- C9 H10 La N2 O9 -","- C36 H40 La4 N8 O36 -","4","1","FG3274","Chen, Wen-Xian; Liu, Qiu-Ping; Zhuang, Gui-Lin; Zhou, Sheng-Jun","A novel La^III^-based metal‒organic framework (MOF) with a new topology: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~-oxalato)dilanthanum(III)]","Acta Crystallographica Section C","2013","69","1","5","7","10.1107/S0108270112048184","","","0.71073","MoKα","","0.0213","0.0204","","","0.0519","0.0524","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018744","21.4175","0.0002","5.9779","0.0001","17.6539","0.0002","90","","106.648","0.001","90","","2165.51","0.05","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5'-Dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine","","- C24 H18 Br2 N2 S2 -","- C24 H18 Br2 N2 S2 -","- C96 H72 Br8 N8 S8 -","4","0.5","FG3278","Abboud, Mohamed; Mamane, Victor; Aubert, Emmanuel","Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π‒π and halogen interactions","Acta Crystallographica Section C","2013","69","1","56","60","10.1107/S0108270112048196","","","1.5418","CuKα","","0.0168","0.0166","","","0.0442","0.0443","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018745","8.0894","0.0016","12.037","0.003","15.39","0.003","89.774","0.019","89.466","0.017","76.691","0.017","1458.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-2-thiouracil dimethylformamide disolvate","","- C10 H19 N5 O3 S -","- C10 H19 N5 O3 S -","- C40 H76 N20 O12 S4 -","4","2","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1932","0.077","","","0.1524","0.199","","","","","","0.899","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018746","9.4615","0.0009","9.2679","0.0011","13.4208","0.0012","90","","101.801","0.007","90","","1152","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-2-thiouracil dimethylacetamide monosolvate","","- C8 H14 N4 O2 S -","- C8 H14 N4 O2 S -","- C32 H56 N16 O8 S4 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.0438","0.0404","","","0.1156","0.118","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018747","15.2133","0.0007","7.4335","0.0013","24.445","0.003","90","","90","","90","","2764.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil dimethylacetamide sesquisolvate","","- C20 H37 N9 O5 S2 -","- C20 H37 N9 O5 S2 -","- C80 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.107","0.0634","","","0.1","0.1127","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018748","15.2293","0.001","7.5483","0.0004","25.1871","0.0013","90","","90","","90","","2895.4","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C92 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.0747","0.062","","","0.1648","0.1698","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018749","7.5509","0.0007","15.2328","0.0012","50.601","0.003","90","","90","","90","","5820.2","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C184 H296 N72 O40 S16 -","8","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1821","0.0789","","","0.1835","0.2288","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018750","11.3011","0.0003","19.276","0.0004","6.6725","0.0002","90","","90","","90","","1453.54","0.07","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Diethyl 2-[(2-hydroxyanilino)methylidene]malonate","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","0.5","FN3116","Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran","Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates","Acta Crystallographica Section C","2013","69","1","70","73","10.1107/S0108270112047257","","","0.71073","MoKα","","0.0699","0.0487","","","0.1369","0.1543","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018751","10.997","0.0011","10.8919","0.0011","12.3244","0.0012","90","","105.206","0.001","90","","1424.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2-[(4-hydroxyanilino)methylidene]malonate","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","1","FN3116","Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran","Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates","Acta Crystallographica Section C","2013","69","1","70","73","10.1107/S0108270112047257","","","0.71073","MoKα","","0.0439","0.0381","","","0.1097","0.117","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018752","7.2846","0.0016","14.938","0.003","7.8594","0.0017","90","","90","","90","","855.2","0.3","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetrasamarium lithium tetragermanide","","- Ge4 Li1.03 Sm3.97 -","- Ge4 Li1.034 Sm3.966 -","- Ge16 Li4.136 Sm15.864 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0405","0.0276","","","0.047","0.0508","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018753","7.3649","0.0012","15.092","0.002","7.9406","0.0013","90","","90","","90","","882.6","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetraneodymium lithium tetragermanide","","- Ge4 Li1.03 Nd3.97 -","- Ge4 Li1.03 Nd3.97 -","- Ge16 Li4.12 Nd15.88 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0601","0.0361","","","0.0533","0.0597","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018754","7.188","0.002","14.816","0.005","7.767","0.003","90","","90","","90","","827.2","0.5","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetragadolinium lithium tetragermanide","","- Gd3.96 Ge4 Li1.04 -","- Gd3.954 Ge4 Li1.046 -","- Gd15.816 Ge16 Li4.184 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0608","0.0396","","","0.0787","0.0865","","","","","","1.014","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018755","13.714","0.001","22.799","0.002","8.0786","0.0005","90","","111.94","0.004","90","","2343","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetra(sarcosine) potassium iodide dihydrate","<i>catena</i>-Poly[[potassium-tetra-μ-sarcosine- κ^4^<i>O</i>:<i>O</i>';κ^4^<i>O</i>:<i>O</i>] iodide dihydrate]","","- C12 H32 I K N4 O10 -","- C12 H32 I K N4 O10 -","- C48 H128 I4 K4 N16 O40 -","4","0.5","MX3086","Fleck, Michel; Ghazaryan, Vahram V.; Petrosyan, Aram M.","Diaquaiodidotetrasarcosinepotassium: an overview of sarcosine metal halogenide structures","Acta Crystallographica Section C","2013","69","1","11","16","10.1107/S0108270112048597","","","0.71073","MoKα","","0.0533","0.0325","","","0.0653","0.0725","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018756","14.424","0.004","6.3401","0.0016","7.234","0.002","90","","92.51","0.03","90","","660.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc]","","- C14 H10 N2 O5 Zn -","- C14 H10 N2 O5 Zn -","- C28 H20 N4 O10 Zn2 -","2","0.5","MX3089","Liu, Lei-Lei; Zhao, Feng","Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc]","Acta Crystallographica Section C","2013","69","1","29","32","10.1107/S0108270112048974","","","0.71073","MoKα","","0.0326","0.0295","","","0.069","0.0716","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018757","9.219","0.003","5.815","0.002","12.263","0.004","90","","99.74","0.03","90","","647.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl (2<i>S</i>)-2-[(<i>tert</i>-butoxycarbonyl)amino]butanedioate","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C22 H38 N2 O12 -","2","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0347","0.0303","","","0.0767","0.0784","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018758","5.922","0.002","9.635","0.002","33.026","0.008","90","","90","","90","","1884.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2<i>S</i>)-2-{bis[(<i>tert</i>-butoxycarbonyl]amino}butanedioate","","- C16 H27 N O8 -","- C16 H27 N O8 -","- C64 H108 N4 O32 -","4","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0413","0.0333","","","0.082","0.0841","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018759","11.147","0.006","5.985","0.003","16.32","0.008","90","","90","","90","","1088.8","1","93","1","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Tripotassium formatotetraperoxidodimolybdate","Tripotassium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H K3 Mo2 O13 -","- C H K3 Mo2 O13 -","- C4 H4 K12 Mo8 O52 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0163","0.0159","","","0.0398","0.0401","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018760","11.472","0.004","6.208","0.002","16.633","0.006","90","","90","","90","","1184.6","0.7","93","2","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Trirubidium formatotetraperoxidodimolybdate","Trirubidium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H Mo2 O13 Rb3 -","- C H Mo2 O13 Rb3 -","- C4 H4 Mo8 O52 Rb12 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0265","0.0254","","","0.0573","0.0582","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018761","6.091","0.002","11.622","0.004","16.8","0.005","90","","90","","90","","1189.3","0.7","93","2","93","1","","","","","","","","5","P b c m","-P 2c 2b","57","Triammonium formatotetraperoxidodimolybdate","Triammonium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H13 Mo2 N3 O13 -","- C H13 Mo2 N3 O13 -","- C4 H52 Mo8 N12 O52 -","4","0.5","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0189","0.0176","","","0.0427","0.0434","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018762","8.8956","0.0018","10.161","0.002","11.233","0.002","77.14","0.03","86.51","0.03","84.8","0.03","984.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^- bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]","","- C38 H38 N12 O12 Zn -","- C38 H38 N12 O12 Zn -","- C38 H38 N12 O12 Zn -","1","0.5","SF3189","Li, Fa-Zhan; Li, Guo-Ting","<i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]","Acta Crystallographica Section C","2013","69","1","33","36","10.1107/S0108270112050214","","","0.71073","MoKα","","0.0476","0.0393","","","0.0974","0.103","","","","","","1.048","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018763","6.5227","0.0008","7.4153","0.0008","8.7646","0.001","90","","90","","90","","423.92","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lead(II) formate","Poly[di-μ~4~-formato-lead(II)]","","- C2 H2 O4 Pb -","- C2 H2 O4 Pb -","- C8 H8 O16 Pb4 -","4","1","SK3452","Lanza, Arianna; Gambirasi, Arianna; Favaro, Monica; Peruzzo, Luca; Chiurato, Matteo; Nestola, Fabrizio","Re-investigation of lead(II) formate","Acta Crystallographica Section C","2013","69","1","41","43","10.1107/S010827011204913X","","","0.71073","MoKα","","0.044","0.0354","","","0.0769","0.0794","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018764","7.752","0.002","20.566","0.007","14.141","0.004","90","","99.639","0.006","90","","2222.6","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~3~-phthalato)[μ~2~-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1- ido]dicopper(II)]","","- C24 H16 Cu2 N6 O4 -","- C24 H16 Cu2 N6 O4 -","- C96 H64 Cu8 N24 O16 -","4","1","SK3461","Cai, Hua; Guo, Ying; Li, Jian-Gang","Controllable assembly of a three-dimensional metal‒organic supramolecular framework including π‒π stacking interactions","Acta Crystallographica Section C","2013","69","1","8","10","10.1107/S0108270112048937","","","0.71073","MoKα","","0.0591","0.0297","","","0.0648","0.0791","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018765","12.4413","0.001","15.8116","0.0018","7.1805","0.001","90","","103.037","0.009","90","","1376.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(4-chloroanilino)-3-nitrobenzoate","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","SK3463","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2013","69","1","77","81","10.1107/S0108270112049669","","","0.71073","MoKα","","0.1125","0.0589","","","0.1335","0.1633","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018766","14.214","0.002","11.7391","0.001","11.058","0.0014","90","","98.908","0.01","90","","1822.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C88 H68 Cl4 N8 O8 -","4","1","SK3463","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2013","69","1","77","81","10.1107/S0108270112049669","","","0.71073","MoKα","","0.0761","0.0464","","","0.1012","0.1167","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018767","8.415","0.0007","12.8669","0.0011","15.2441","0.0014","90","","90","","90","","1650.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-4-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","1","WQ3020","Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu","An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate","Acta Crystallographica Section C","2013","69","1","61","65","10.1107/S0108270112047877","","","0.71073","MoKα","","0.0912","0.0487","","","0.1158","0.1519","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018768","27.838","0.004","27.838","0.004","11.779","0.002","90","","90","","90","","9128","2","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrakis[μ-2-(quinolin-8-yloxy)acetato]tetrakis[μ-2-(quinolin-8- yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate","","- C88 H68 Cd4 Cl4 N12 O34 -","- C88 H68 Cd4 Cl4 N12 O34 -","- C352 H272 Cd16 Cl16 N48 O136 -","4","0.5","WQ3022","Liu, Ming-Liang; Ye, Qiong","A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand","Acta Crystallographica Section C","2013","69","1","17","20","10.1107/S0108270112049360","","","0.71073","MoKα","","0.0686","0.0477","","","0.0944","0.1027","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018769","12.7125","0.0014","7.8246","0.0004","16.579","0.002","90","","106.904","0.009","90","","1577.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)- 1,3-thiazolidin-4(5<i>H</i>)-one","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","YF3021","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)-1,3-thiazolidin-4(5<i>H</i>)-one","Acta Crystallographica Section C","2013","69","1","74","76","10.1107/S0108270112047956","","","0.71073","MoKα","","0.1193","0.0539","","","0.1129","0.1396","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018770","10.758","0.0001","10.758","0.0001","38.073","0.0003","90","","90","","120","","3816.02","0.06","183","2","183","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","decacalcium hexakis[chromate(V)] chromate(VI)","","- Ca10 Cr7 O28 -","- Ca10 Cr7 O28 -","- Ca60 Cr42 O168 -","6","0.333333","BI3051","Gyepesová, Dalma; Langer, Vratislav","Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning","Acta Crystallographica Section C","2013","69","2","111","113","10.1107/S0108270113000723","","","0.71073","MoKα","","0.0269","0.0239","","","0.0585","0.0602","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018771","5.921","0.0008","5.921","0.0008","21.016","0.004","90","","90","","120","","638.07","0.17","298","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Barium di-μ-hydroxydo-di-μ-vanadato-tricobaltate(II)","","- Ba Co3 H2 O10 V2 -","- Ba Co3 H2 O10 V2 -","- Ba3 Co9 H6 O30 V6 -","3","0.0833333","BI3052","Dordević, Tamara; Karanović, Ljiljana","Ba[Co~3~(VO~4~)~2~(OH)~2~] with a regular Kagomé lattice","Acta Crystallographica Section C","2013","69","2","114","118","10.1107/S0108270113001972","","","0.71069","MoKα","","0.0191","0.0184","","","0.0596","0.0599","","","","","","1.325","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018772","8.6437","0.0003","9.5322","0.0003","21.8594","0.0008","90","","95.657","0.003","90","","1792.3","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(diisopropylammonium) thiosulfate","","- C12 H32 N2 O3 S2 -","- C12 H32 N2 O3 S2 -","- C48 H128 N8 O12 S8 -","4","1","DT3017","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara","Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate","Acta Crystallographica Section C","2013","69","2","195","198","10.1107/S0108270113001327","","","0.71073","MoKα","","0.0467","0.0422","","","0.1068","0.1095","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018773","11.7834","0.0004","12.3519","0.0006","19.9312","0.0008","90","","97.017","0.004","90","","2879.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>tert</i>-butylammonium) thiosulfate","","- C8 H24 N2 O3 S2 -","- C8 H24 N2 O3 S2 -","- C64 H192 N16 O24 S16 -","8","2","DT3017","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara","Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate","Acta Crystallographica Section C","2013","69","2","195","198","10.1107/S0108270113001327","","","0.71073","MoKα","","0.0508","0.034","","","0.0804","0.0843","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018774","5.1955","0.0006","10.3017","0.0017","20.943","0.002","90","","90","","90","","1120.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-Oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoic acid","","- C10 H16 N2 O3 S -","- C10 H16 N2 O3 S -","- C40 H64 N8 O12 S4 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0403","0.0354","","","0.0881","0.0896","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018775","8.7869","0.0008","8.2847","0.001","9.8588","0.001","90","","95.718","0.008","90","","714.12","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}silver(I)] trihydrate]","","- C10 H21 Ag N2 O6 S -","- C10 H21 Ag N2 O6 S -","- C20 H42 Ag2 N4 O12 S2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0235","0.0227","","","0.0608","0.0611","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018776","21.8568","0.0012","8.0321","0.0004","16.8886","0.0009","90","","99.337","0.004","90","","2925.6","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","<i>catena</i>-poly[[bis[nitratosilver(I)]- bis{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] monohydrate]","","- C20 H34 Ag2 N6 O13 S2 -","- C20 H34 Ag2 N6 O13 S2 -","- C80 H136 Ag8 N24 O52 S8 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0221","0.0187","","","0.0401","0.0408","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018777","15.113","0.0007","9.6028","0.0003","28.667","0.0013","90","","90.946","0.004","90","","4159.8","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","<i>catena</i>-poly[[silver(I)-bis{μ~2~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] hexafluoridophosphate]","","- C20 H32 Ag F6 N4 O6 P S2 -","- C20 H32 Ag F6 N4 O6 P S2 -","- C120 H192 Ag6 F36 N24 O36 P6 S12 -","6","3","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0496","0.0437","","","0.107","0.1092","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018778","9.6902","0.0011","14.6452","0.0012","9.8604","0.0012","90","","91.167","0.01","90","","1399","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","<i>catena</i>-poly[[[{5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4- yl]pentanoato}silver(I)]-μ~2~-{5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] hexafluoridoantimonate]","","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C40 H64 Ag2 F12 N8 O12 S4 Sb2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0281","0.0261","","","0.0637","0.0642","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018779","9.9504","0.0015","8.849","0.0014","10.0077","0.0016","90","","99.731","0.009","90","","868.5","0.2","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole","","- C8 H4 Cl N O2 Te -","- C8 H4 Cl N O2 Te -","- C32 H16 Cl4 N4 O8 Te4 -","4","1","EG3105","Watkins, Jennifer M.; Fronczek, Frank R.; Zehnder, Ralph A.; Junk, Thomas","1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole","Acta Crystallographica Section C","2013","69","2","156","157","10.1107/S0108270112050196","","","0.71073","MoKα","","0.028","0.024","","","0.053","0.055","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018780","9.0848","0.0003","6.2043","0.0002","13.1207","0.0005","90","","107.792","0.002","90","","704.17","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Hydroxy-1,3-dihydro-2,3,1-benzoxazaborinin-4-one","1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one","","- C7 H6 B N O3 -","- C7 H6 B N O3 -","- C28 H24 B4 N4 O12 -","4","1","FA3302","Sarina, Evan A.; Olmstead, Marilyn M.; Nguyen, Dung N.; Groziak, Michael P.","1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2013","69","2","183","185","10.1107/S0108270113000681","","","0.71073","MoKα","","0.0351","0.0336","","","0.101","0.1027","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018781","10.4235","0.0002","19.1651","0.0002","37.2907","0.0004","90","","90","","90","","7449.47","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","telaprevir","(1<i>S</i>,3a<i>R</i>,6a<i>S</i>)-2-((2<i>S</i>)-2-{[(2<i>S</i>)-2-Cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino}-3,3-dimethylbutanoyl)-<i>N</i>-[(3<i>S</i>)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1<i>H</i>-cyclopenta[<i>c</i>]pyrrole-1-carboxamide","","- C36 H53 N7 O6 -","- C36 H53 N7 O6 -","- C288 H424 N56 O48 -","8","2","FN3124","Gelbrich, Thomas; Kahlenberg, Volker; Langes, Christoph; Griesser, Ulrich J.","Telaprevir: helical chains based on three-point hydrogen-bond connections","Acta Crystallographica Section C","2013","69","2","179","182","10.1107/S0108270113000954","","","1.5418","CuKα","","0.0493","0.0469","","","0.1192","0.1214","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018782","10.4687","0.0002","12.8659","0.0003","13.8539","0.0003","83.28","0.001","84.374","0.001","69.611","0.001","1733.76","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate","","- C31 H26 N11 O7.5 S3 Zn12 -","- C31 H26 N11 O7.5 S3 Zn -","- C62 H52 N22 O15 S6 Zn2 -","2","1","GZ3218","Oliveira, F. L.; Huber, P. C.; Almeida, W. P.; Sabino, J. R.; Aparicio, R.","Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate at~100K","Acta Crystallographica Section C","2013","69","2","119","122","10.1107/S0108270112051372","","","0.71073","MoKα","","0.0476","0.0381","","","","0.1132","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018783","19.007","0.0014","3.8621","0.0003","15.137","0.0011","90","","107.41","0.0015","90","","1060.25","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","GZ3224","Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy","Two polymorphs of 1,8-dichloroanthracene","Acta Crystallographica Section C","2013","69","2","199","203","10.1107/S0108270113001790","","","0.71073","MoKα","","0.0305","0.0278","","","0.0809","0.0827","","","","","","1.146","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018784","15.331","0.002","3.8621","0.0005","18.087","0.002","90","","90","","90","","1070.9","0.2","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","GZ3224","Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy","Two polymorphs of 1,8-dichloroanthracene","Acta Crystallographica Section C","2013","69","2","199","203","10.1107/S0108270113001790","","","0.71073","MoKα","","0.0303","0.028","","","0.0706","0.072","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018785","8.9266","0.0004","8.9266","0.0004","22.0738","0.0014","90","","90","","120","","1523.28","0.14","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.914 O12 P3 Sc Zr -","- Cu11.484 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.022","0.0213","","","0.0504","0.0505","","","","","","1.298","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018786","8.9344","0.0005","8.9344","0.0005","22.0918","0.0016","90","","90","","120","","1527.19","0.16","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.908 O12 P3 Sc Zr -","- Cu11.448 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0291","0.0265","","","0.0561","0.057","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018787","8.9206","0.0007","8.9206","0.0007","22.071","0.002","90","","90","","120","","1521","0.2","300","2","300","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.926 O12 P3 Sc Zr -","- Cu11.556 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0253","0.0226","","","0.0547","0.0576","","","","","","1.292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018788","4.1792","0.0008","11.618","0.002","13.238","0.003","70.44","0.03","83.71","0.03","89.91","0.03","601.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercury(II)]","","- C10 H10 Cl10 Hg3 N2 -","- C10 H10 Cl10 Hg3 N2 -","- C10 H10 Cl10 Hg3 N2 -","1","0.5","KU3085","Jin, Lei; Wu, De-Hong","Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercurate(II)]","Acta Crystallographica Section C","2013","69","2","142","145","10.1107/S0108270113001807","","","0.71073","MoKα","","0.0585","0.0498","","","0.0994","0.104","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018789","11.3855","0.0008","11.3863","0.0009","11.5351","0.0008","62.22","0.009","81.596","0.011","65.878","0.009","1205.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1'-Biadamantane-3,3'-diol","","- C20 H30 O2 -","- C20 H30 O2 -","- C60 H90 O6 -","3","1.5","KY3025","Domasevitch, Konstantin V.","1,1'-Biadamantane-3,3'-diol: a two-dimensional network supported by a `hexameric alcohol cluster' supramolecular synthon","Acta Crystallographica Section C","2013","69","2","175","178","10.1107/S0108270112051785","","","0.71073","MoKα","","0.0566","0.0344","","","0.0806","0.0859","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018790","8.517","0.004","21.699","0.009","14.301","0.006","90","","90.31","0.009","90","","2643","2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-bromo-5-nitrosalicylaldehyde phenylhydrazone","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C104 H80 Br8 N24 O24 -","8","2","LN3154","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.","Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone","Acta Crystallographica Section C","2013","69","2","150","155","10.1107/S0108270112050822","","","0.71075","MoKα","","0.062","0.0524","","","0.1174","0.1224","","","","","","1.172","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018791","7.9022","0.0011","11.7662","0.0017","14.917","0.002","68.971","0.005","83.143","0.006","88.375","0.006","1285.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-nitrosalicylaldehyde phenylhydrazone","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C52 H40 Br4 N12 O12 -","4","2","LN3154","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.","Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone","Acta Crystallographica Section C","2013","69","2","150","155","10.1107/S0108270112050822","","","0.71075","MoKα","","0.0916","0.0525","","","0.1134","0.1312","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018792","21.965","0.003","14.003","0.002","23.836","0.004","90","","106.08","0.003","90","","7044.5","1.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate","","- C60 H70 Co2 N12 O23 V4 -","- C60 H70 Co2 N12 O23 V4 -","- C240 H280 Co8 N48 O92 V16 -","4","0.5","SF3188","Zhang, Ke; Liang, Da-Dong; Wang, Ming-Hui; Liu, Yan; Luan, Guo-You","Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate","Acta Crystallographica Section C","2013","69","2","138","141","10.1107/S0108270112051244","","","0.71073","MoKα","","0.0871","0.0468","","","0.0901","0.1041","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018793","4.8315","0.0012","19.976","0.005","6.3551","0.0013","90","","104.69","0.02","90","","593.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9-deazahypoxanthine","3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C6 H5 N3 O -","- C6 H5 N3 O -","- C24 H20 N12 O4 -","4","1","SK3467","Novotná, Radka; Trávníček, Zdeněk","Infinite ladder-like chains organized into a three-dimensional zigzag supramolecular architecture in 9-deazahypoxanthine","Acta Crystallographica Section C","2013","69","2","158","161","10.1107/S0108270112050767","","","0.71073","MoKα","","0.0879","0.0485","","","0.0919","0.1017","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018794","9.7137","0.0019","8.0745","0.0016","15.396","0.003","90","","98.73","0.03","90","","1193.6","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","poly[[μ-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)]","","- C10 H8 Cu I N4 -","- C10 H8 Cu I N4 -","- C40 H32 Cu4 I4 N16 -","4","1","SK3470","Huang, Wenjiang; Zhang, Jinfang; Li, Jianghua; Zhang, Chi","A twofold interwoven two-dimensional→two-dimensional (2-D→2-D) cluster‒organic network based on the [Cu~2~I~2~] cluster and the 4,4'-(diazenediyl)dipyridine ligand: poly[[μ~2~-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)]","Acta Crystallographica Section C","2013","69","2","123","126","10.1107/S0108270113000942","","","0.71073","MoKα","","0.0876","0.0603","","","0.0838","0.0934","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018795","3.937","0.0009","11.977","0.003","21.482","0.006","90","","90","","90","","1013","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Allyloxy-7-chloroquinoline","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.0371","0.0321","","","0.0733","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018796","3.812","0.0004","10.9801","0.0011","20.348","0.002","90","","93.591","0.007","90","","850.02","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-methoxyquinoline","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C40 H32 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.0454","0.0353","","","0.092","0.097","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018797","3.932","0.01","11.98","0.03","20.86","0.06","90","","90.56","0.06","90","","983","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-ethoxyquinoline","","- C11 H10 Cl N O -","- C11 H10 Cl N O -","- C44 H40 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.2044","0.1091","","","0.2499","0.3243","","","","","","0.823","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018798","67.0788","0.0015","4.4717","0.0001","18.2399","0.0004","90","","101.216","0.002","90","","5366.7","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Dibromo-4,5-bis(decyloxy)benzene","","- C26 H44 Br2 O2 -","- C26 H44 Br2 O2 -","- C208 H352 Br16 O16 -","8","1","UK3060","Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.","Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section C","2013","69","2","204","208","10.1107/S0108270113002485","","","0.7107","MoKα","","0.0724","0.0692","","","0.1836","0.1844","","","","","","1.21","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018799","50.158","0.005","8.36","0.003","9.248","0.003","90","","94.136","0.005","90","","3867.8","1.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,2-Dibromo-4,5-bis(hexadecyloxy)benzene","","- C38 H68 Br2 O2 -","- C38 H68 Br2 O2 -","- C152 H272 Br8 O8 -","4","1","UK3060","Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.","Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section C","2013","69","2","204","208","10.1107/S0108270113002485","","","0.71069","MoKα","","0.0387","0.024","","","0.0516","0.0533","","","","","","0.841","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018800","9.0535","0.0013","9.6033","0.0014","9.6034","0.0014","104.944","0.004","91.574","0.004","113.765","0.004","730.11","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(ethane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>S</i>- [bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)]-μ- thiocyanato-κ^2^<i>S</i>:<i>S</i>] tetrakis(perchlorate)]","","- C10 H32 Cl4 N10 O16 Pt2 S2 -","- C10 H32 Cl4 N10 O16 Pt2 S2 -","- C10 H32 Cl4 N10 O16 Pt2 S2 -","1","0.5","WQ3023","Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro","A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)","Acta Crystallographica Section C","2013","69","2","146","149","10.1107/S0108270113000541","","","0.71073","MoKα","","0.0293","0.0263","","","0.0698","0.0718","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018801","30.515","0.002","8.3572","0.0009","7.443","0.0007","90","","96.507","0.003","90","","1885.9","0.3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)platinum(IV) bis(perchlorate) 1.5-hydrate","","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C24 H76 Cl8 N24 O38 Pt4 S8 -","4","1","WQ3023","Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro","A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)","Acta Crystallographica Section C","2013","69","2","146","149","10.1107/S0108270113000541","","","0.71073","MoKα","","0.0213","0.02","","","0.0407","0.0416","","","","","","0.839","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018802","7.399","0.0005","9.609","0.003","12.449","0.003","73.3","0.02","82.68","0.014","72.693","0.013","808.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl <i>N</i>-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinate","","- C16 H19 N5 O3 -","- C16 H19 N5 O3 -","- C32 H38 N10 O6 -","2","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0786","0.0452","","","0.103","0.1201","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018803","20.045","0.004","8.6868","0.0007","17.99","0.003","90","","114.064","0.011","90","","2860.3","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-{2-Amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinamide","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C112 H128 N48 O16 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0765","0.0491","","","0.1049","0.1189","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018804","16.707","0.006","10.218","0.002","20.733","0.005","90","","105.929","0.019","90","","3403.5","1.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-<i>N</i>-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin- 4-yl}propionate","","- C17 H21 N5 O3 -","- C17 H21 N5 O3 -","- C136 H168 N40 O24 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0798","0.0441","","","0.0825","0.0948","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018805","15.636","0.004","6.5674","0.0018","17.336","0.005","90","","113.44","0.018","90","","1633.3","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl <i>N</i>-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin-4-yl}glycinate","","- C16 H19 N5 O3 -","- C16 H19 N5 O3 -","- C64 H76 N20 O12 -","4","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0872","0.0589","","","0.1417","0.1646","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018806","24.8226","0.0005","7.1379","0.0014","20.601","0.002","90","","106.213","0.008","90","","3504.9","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-<i>N</i>-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin- 4-yl}propionate","","- C18 H23 N5 O3 -","- C18 H23 N5 O3 -","- C144 H184 N40 O24 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0816","0.0453","","","0.0898","0.1038","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018807","8.04","0.004","10.391","0.003","10.458","0.008","109.16","0.03","98.19","0.05","103.1","0.03","781.2","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl 3-amino-<i>N</i>-[2-amino-5-formyl-6-(piperidin-4-yl)pyrimidin-4-yl]propionate","","- C15 H23 N5 O3 -","- C15 H23 N5 O3 -","- C30 H46 N10 O6 -","2","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0772","0.0512","","","0.1181","0.1342","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018808","7.9609","0.0007","11.2732","0.0009","15.8323","0.0011","101.794","0.006","95.41","0.007","109.767","0.008","1288.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium); oxalate; oxalic acid","","- C50 H58 Cl4 N6 O12 -","- C50 H58 Cl4 N6 O12 -","- C50 H58 Cl4 N6 O12 -","1","0.5","YF3023","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. III. Bis(aripiprazolium) oxalate‒oxalic acid (1/1)","Acta Crystallographica Section C","2013","69","2","186","190","10.1107/S0108270113001133","","","0.71073","MoKα","","0.0942","0.0574","","","0.1373","0.1599","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018809","4.957","0.002","8.737","0.003","13.562","0.005","93.22","0.03","97.02","0.03","91.05","0.03","581.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole- 3-amine","","- C11 H9 F3 N4 O2 -","- C11 H9 F3 N4 O2 -","- C22 H18 F6 N8 O4 -","2","1","YF3024","Portilla, Jaime; Ontiveros, Ina; Cobo, Justo; Glidewell, Christopher","5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-amine: a chain of hydrogen-bonded <i>R</i>~2~^2^(6) and <i>R</i>~2~^2^(16) rings","Acta Crystallographica Section C","2013","69","2","172","174","10.1107/S0108270113000607","","","0.71073","MoKα","","0.0618","0.0459","","","0.1133","0.1246","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018810","6.8162","0.0012","10.6307","0.0011","13.924","0.0014","90","","96.954","0.018","90","","1001.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zoledronic acid","1-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)-1<i>H</i>-imidazol-3-ium","","- C5 H10 N2 O7 P2 -","- C5 H10 N2 O7 P2 -","- C20 H40 N8 O28 P8 -","4","1","BI3053","Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.","Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data","Acta Crystallographica Section C","2013","69","3","263","266","10.1107/S0108270113003089","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.603","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018811","8.4217","0.0013","8.6039","0.0011","8.1818","0.0012","92.778","0.016","112.415","0.017","116.072","0.019","475.33","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Zoledronic acid","1-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)-1<i>H</i>-imidazol-3-ium","","- C5 H10 N2 O7 P2 -","- C5 H10 N2 O7 P2 -","- C10 H20 N4 O14 P4 -","2","1","BI3053","Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.","Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data","Acta Crystallographica Section C","2013","69","3","263","266","10.1107/S0108270113003089","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.133","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018812","7.5894","0.0007","10.55","0.001","11.238","0.002","62.88","0.01","71.89","0.01","77.782","0.009","758.6","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3,6,7,10,11-Hexahydroxytriphenylene methanol monosolvate","","- C19 H16 O7 -","- C19 H16 O7 -","- C38 H32 O14 -","2","1","CU3018","Karmakar, Anirban; Platero-Prats, Ana E.; Öhrström, Lars","A new methanol solvate and Hirshfeld analysis of π-stacking in 2,3,6,7,10,11-hexahydroxytriphenylene solvates","Acta Crystallographica Section C","2013","69","3","251","254","10.1107/S0108270113001893","","","0.71073","MoKα","","0.0956","0.0525","","","0.0927","0.1141","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018813","13.718","0.01","11.542","0.008","17.946","0.013","90","","108.134","0.013","90","","2700","3","300","2","300","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","SHELXL-97","Perchlorotriphenylmethyl","","- C19 Cl15 -","- C19 Cl15 -","- C76 Cl60 -","4","0.5","DT3016","Guasch, Judith; Fontrodona, Xavier; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","The perchlorotriphenylmethyl (PTM) radical","Acta Crystallographica Section C","2013","69","3","255","257","10.1107/S0108270113002072","","","0.71073","MoKα","","0.2132","0.0925","","","0.2736","0.3455","","","","","","0.957","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018814","10.0002","0.0009","10.1568","0.0008","10.2186","0.0008","89.906","0.006","66.363","0.005","75.805","0.005","916.32","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ-4,4'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)bis(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)cobalt(II)] dihydrate]","","- C36 H46 Co N8 O10 -","- C36 H46 Co N8 O10 -","- C36 H46 Co N8 O10 -","1","0.5","EG3109","Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate","Acta Crystallographica Section C","2013","69","3","232","236","10.1107/S0108270113003405","","","0.71073","MoKα","","0.0736","0.051","","","0.1135","0.1247","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018815","14.5363","0.0012","14.9862","0.0013","18.3813","0.0017","90","","105.384","0.007","90","","3860.8","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ-4,4'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)bis(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)cadmium(II)] dihydrate]","","- C36 H46 Cd N8 O10 -","- C36 H46 Cd N8 O10 -","- C144 H184 Cd4 N32 O40 -","4","0.5","EG3109","Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate","Acta Crystallographica Section C","2013","69","3","232","236","10.1107/S0108270113003405","","","0.71073","MoKα","","0.0685","0.0442","","","0.071","0.0772","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018816","10.978","0.0003","12.7452","0.0003","12.7755","0.0003","63.131","0.002","68.173","0.002","83.141","0.002","1477.67","0.07","120.3","","120","","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Bis(dimethylformamide-κ<i>O</i>)bis[<i>N</i>,<i>N</i>'-<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>-butyloxybis(phosphonic diamide-κ<i>O</i>)]manganese(II) dichloride dihydrate","","- C38 H98 Cl2 Mn N10 O10 P4 -","- C38 H98 Cl2 Mn N10 O10 P4 -","- C38 H98 Cl2 Mn N10 O10 P4 -","1","0.5","FA3292","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Fejfarová, Karla; Dušek, Michal","A novel amido‒pyrophosphate Mn^II^ chelate complex with the synthetic ligand O{P(O)[NHC(CH~3~)~3~]~2~}~2~ (<i>L</i>): [Mn(<i>L</i>)~2~{OC(H)N(CH~3~)~2~}~2~]Cl~2~·2H~2~O","Acta Crystallographica Section C","2013","69","3","225","228","10.1107/S0108270113000814","","","1.5418","CuKα","","0.0278","0.027","","","0.0849","0.0856","","","","","","1.71","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018817","10.548","0.002","18.669","0.004","24.795","0.006","90","","92.687","0.005","90","","4877.3","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tetraaquadi-μ~4~-citrato-tetrakis(2,6-diaminopurine)tetracobalt(II)] 6.35-hydrate]","","- C32 H52.68 Co4 N24 O24.35 -","- C32 H46 Co4 N24 O24.33 -","- C128 H184 Co16 N96 O97.32 -","4","0.5","FN3122","Atria, Ana María; Parada, José; Garland, Maria Teresa; Baggio, Ricardo","A polymeric cobalt(II) complex derived from citric acid (H~4~cit) and 2,6-diaminopurine (dap): {[Co~4~(cit)~2~(dap)~4~(H~2~O)~4~]·6.35H~2~O}~<i>n~</i>","Acta Crystallographica Section C","2013","69","3","212","215","10.1107/S0108270113002230","","","0.71073","MoKα","","0.0657","0.0591","","","0.1196","0.1218","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018818","8.1032","0.0003","10.0065","0.0003","8.8704","0.0004","90","","90.609","0.004","90","","719.21","0.05","294.42","0.1","294.42","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","3',5'-diacetyl-O^2^,2-cyclouridine","2,2'-Anhydro-1-(2'-deoxy-3',5'-di-<i>O</i>-acety-β-<i>D</i>- arabinofuranosyl)uracil","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C26 H28 N4 O14 -","2","1","FN3123","Fu, Ying; He, Yin-Xia; Hou, Hong-Xia; Zhu, Wen-Bo; Li, Hu-Lin; Wu, Chao; Xian, Fang-Yan","2,2'-Anhydro-1-(3',5'-di-<i>O</i>-acetyl-β-<small>D</small>-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-<i>endo</i> furanosyl conformation","Acta Crystallographica Section C","2013","69","3","282","284","10.1107/S0108270113000395","","","0.7107","MoKα","","0.0468","0.0394","","","0.083","0.0913","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018819","29.8145","0.0005","29.8145","0.0005","10.2028","0.0002","90","","90","","120","","7854.3","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","(±)-<i>exo</i>,<i>syn</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>SR</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C378 H396 Br18 N18 O36 -","18","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0435","0.0331","","","0.077","0.0814","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018820","5.96905","0.00004","14.7659","0.00009","20.76083","0.00013","90","","90","","90","","1829.83","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-<i>exo</i>,<i>anti</i>-(1<i>R</i>,2<i>S</i>,5<i>S</i>)-8-Benzyl- 2-[(<i>R</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0363","0.0328","","","0.0782","0.08","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018821","9.0968","0.0004","32.068","0.0018","6.1711","0.0004","90","","90","","90","","1800.21","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(±)-<i>exo</i>,<i>anti</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>RS</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0365","0.0312","","","0.0648","0.0672","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018822","6.9532","0.0004","8.4323","0.0005","11.9669","0.0007","94.706","0.001","91.257","0.001","110.892","0.001","652.31","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","(1<i>R</i><i>S</i>,3<i>R</i><i>S</i>,4<i>R</i><i>S</i>,10<i>S</i><i>R</i>)-2,2,3,10-Tetrabromo-1,2,3,4-tetrahydro-1,4-ethanonaphthalene","","- C12 H10 Br4 -","- C12 H10 Br4 -","- C24 H20 Br8 -","2","1","GZ3227","Boeré, René T.; Bender, Christopher O.","A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene","Acta Crystallographica Section C","2013","69","3","247","250","10.1107/S010827011300231X","","","0.71073","MoKα","","0.0245","0.0219","","","0.0541","0.0552","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018823","9.52","0.003","6.5032","0.0018","17.124","0.005","90","","100.826","0.003","90","","1041.3","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,3-Dibromobenzobarrelene","(1<i>S</i><i>R</i>,4<i>R</i><i>S</i>)-2,3-dibromo-1,4-ethenonaphthalene","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C48 H32 Br8 -","4","1","GZ3227","Boeré, René T.; Bender, Christopher O.","A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene","Acta Crystallographica Section C","2013","69","3","247","250","10.1107/S010827011300231X","","","0.71073","MoKα","","0.0243","0.0195","","","0.0471","0.0489","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018824","9.0919","0.0009","6.0956","0.0006","8.9673","0.0009","90","","114.986","0.004","90","","450.46","0.08","220","","220","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Diethylbenzene","","- C10 H14 -","- C10 H14 -","- C20 H28 -","2","0.5","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","MoKα","","0.0993","0.0706","","","0.2391","0.2771","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018825","13.556","0.003","15.931","0.003","7.7562","0.0016","90","","90","","90","","1675","0.6","120","","120","","","","","","","","","2","F d d 2","F 2 -2d","43","","1,2-Diethylbenzene","","- C10 H14 -","- C10 H14 -","- C80 H112 -","8","0.5","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","MoKα","","0.0353","0.0351","","","0.0896","0.0906","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018826","5.6138","0.0005","14.97","0.001","8.0481","0.001","90","","102.18","0.02","90","","661.13","0.12","160","2","160","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","ethyl benzene","Ethylbenzene","","- C8 H10 -","- C8 H10 -","- C32 H40 -","4","1","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","Mo-Kα","","0.0453","0.0382","","","0.1094","0.1168","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018827","6.8035","0.0014","21.209","0.004","9.0101","0.0018","90","","92.64","0.03","90","","1298.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate]","","- C12 H30 Cd3 Cl8 N4 O2 -","- C12 H30 Cd3 Cl8 N4 O2 -","- C24 H60 Cd6 Cl16 N8 O4 -","2","0.5","KY3023","Zhou, Qin-Qin; Jin, Lei; Liao, Wei-Qiang; Zhang, Yi","A potential molecular ferroelectric material: poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate]","Acta Crystallographica Section C","2013","69","3","237","240","10.1107/S0108270113003892","","","0.71073","MoKα","","0.0331","0.0287","","","0.0628","0.0644","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018828","13.5444","0.0014","11.9489","0.0013","18.518","0.002","90","","105.826","0.001","90","","2883.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate]","","- C30 H30 Cd N2 O9 S -","- C30 H30 Cd N2 O9 S -","- C120 H120 Cd4 N8 O36 S4 -","4","1","QS3020","Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan; Tan, Chun-Yun","A one-dimensional coordination polymer with a three-dimensional supramolecular framework: <i>catena</i>-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate]","Acta Crystallographica Section C","2013","69","3","241","243","10.1107/S0108270113001352","","","0.71073","MoKα","","0.067","0.0406","","","0.0866","0.1105","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018829","13.365","0.005","5.714","0.003","15.357","0.003","90","","102.98","0.03","90","","1142.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[diaqua(4-hydroxybenzohydrazide)zinc(II)]-μ-sulfato]","","- C7 H12 N2 O8 S Zn -","- C7 H12 N2 O8 S Zn -","- C28 H48 N8 O32 S4 Zn4 -","4","1","QS3021","Zasłona, Halina; Drożdżewski, Piotr; Barys, Maciej","A helical coordination polymer of zinc(II), 4-hydroxybenzohydrazide and sulfate ions","Acta Crystallographica Section C","2013","69","3","229","231","10.1107/S0108270113002758","","","0.71073","MoKα","","0.0343","0.026","","","0.0667","0.0684","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018830","14.4952","0.0015","16.5419","0.0019","7.9715","0.0008","90","","90.858","0.015","90","","1911.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","afobazole","5-Ethoxy-2-[2-(morpholin-4-ium-4-yl)ethylsulfanyl]-1<i>H</i>-benzimidazol-3-ium dichloride","","- C15 H23 Cl2 N3 O2 S -","- C15 H23 Cl2 N3 O2 S -","- C60 H92 Cl8 N12 O8 S4 -","4","1","SF3190","Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.","Two polymorphs of afobazole from powder diffraction data","Acta Crystallographica Section C","2013","69","3","299","302","10.1107/S0108270113004502","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.6942","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018831","9.791","0.0011","18.2689","0.0019","10.5687","0.0012","90","","103.225","0.017","90","","1840.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","afobazole","5-Ethoxy-2-[2-(morpholin-4-ium-4-yl)ethylsulfanyl]-1<i>H</i>-benzimidazol-3-ium dichloride","","- C15 H23 Cl2 N3 O2 S -","- C15 H23 Cl2 N3 O2 S -","- C60 H92 Cl8 N12 O8 S4 -","4","1","SF3190","Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.","Two polymorphs of afobazole from powder diffraction data","Acta Crystallographica Section C","2013","69","3","299","302","10.1107/S0108270113004502","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","2.552","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018832","12.809","0.006","4.541","0.002","18.788","0.009","90","","97.621","0.007","90","","1083.2","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[μ~2~-1,3-bis(2-methylimidazol-1-yl)propane]di-μ~4~-iodido-di-μ~3~-iodido-silver(I)]","","- C11 H16 Ag4 I4 N4 -","- C11 H16 Ag4 I4 N4 -","- C22 H32 Ag8 I8 N8 -","2","0.5","SF3192","Yuan, Shuai; Liu, Shan-Shan; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di","A two-dimensional silver‒iodide organic network constructed from a unique [Ag~6~I~6~] hexagonal prism-based one-dimensional column motif","Acta Crystallographica Section C","2013","69","3","216","218","10.1107/S0108270113002916","","","0.71073","MoKα","","0.0924","0.0564","","","0.1265","0.141","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018833","8.597","0.003","18.023","0.004","15.852","0.004","90","","90","","90","","2456.2","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dimethyl (3-{[<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}propyl)phosphonate","","- C21 H32 N3 O7 P -","- C21 H32 N3 O7 P -","- C84 H128 N12 O28 P4 -","4","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.0758","0.067","","","0.1229","0.1259","","","","","","1.231","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018834","10.131","0.004","12.866","0.005","13.368","0.005","68.9","0.04","75.94","0.04","84.11","0.04","1576.7","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Diethyl (4-{[<i>tert</i>-butoxycarbonylglycyl-\ α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}butyl)phosphonate propan-2-ol monosolvate 0.122-hydrate","","- C27 H46.24 N3 O8.12 P -","- C26.9999 H46.244 N3 O8.122 P -","- C53.9998 H92.488 N6 O16.244 P2 -","2","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.097","0.0454","","","0.0835","0.0905","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018835","10.047","0.003","12.667","0.004","13.499","0.004","69.16","0.04","76.54","0.04","83.89","0.04","1560.9","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)- dehydrophenylalanyl-1̆-aminobutyl)phosphonic acid diethyl ester ethanol water solvate","","- C26 H44.16 N3 O8.08 P -","- C26 H44.152 N3 O8.076 P -","- C52 H88.304 N6 O16.152 P2 -","2","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.0701","0.0442","","","0.1223","0.1305","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018836","32.35","0.003","9.9963","0.0003","20.8851","0.0016","90","","128.423","0.013","90","","5291.2","1.2","99.9","0.3","99.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate","","- C28 H25 Cl2 N2 P Pd -","- C28 H25 Cl2 N2 P Pd -","- C224 H200 Cl16 N16 P8 Pd8 -","8","1","SK3474","Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate","Acta Crystallographica Section C","2013","69","3","209","211","10.1107/S0108270113002333","","","0.71073","MoKα","","0.0388","0.032","","","0.0713","0.0752","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018837","11.5273","0.0009","13.4634","0.001","8.3956","0.0006","90","","90","","90","","1302.97","0.17","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-Cyclohexyl-2-(methylsulfanyl)nicotinamide","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.71075","MoKα","","0.0245","0.0238","","","0.063","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018838","11.42","0.02","8.58","0.019","23.61","0.05","90","","94.15","0.03","90","","2307","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Isopropyl-2-(methylsulfanyl)nicotinamide","","- C10 H14 N2 O S -","- C10 H14 N2 O S -","- C80 H112 N16 O8 S8 -","8","2","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.6889","synchrotron","","0.1864","0.1194","","","0.2995","0.3657","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018839","7.194","0.002","7.285","0.003","22.388","0.008","90","","90.341","0.005","90","","1173.3","0.7","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Hydroxyethyl)-2-(methylsulfanyl)nicotinamide dihydrate","","- C9 H16 N2 O4 S -","- C9 H16 N2 O4 S -","- C36 H64 N8 O16 S4 -","4","1","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.71075","MoKα","","0.0283","0.0269","","","0.0701","0.0711","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018840","8.071","0.0003","13.0867","0.0005","15.2422","0.0007","81.885","0.002","81.742","0.003","79.87","0.002","1557.26","0.11","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene-κ<i>N</i>^2^]cadmium(II) hexaiodidodicadmate(II)","","- C56 H44 Cd3 I6 N16 O2 -","- C56 H44 Cd3 I6 N16 O2 -","- C56 H44 Cd3 I6 N16 O2 -","1","0.5","TP3018","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions","Acta Crystallographica Section C","2013","69","3","219","224","10.1107/S0108270113002801","","","0.71073","MoKα","","0.0446","0.0292","","","0.0557","0.0611","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018841","5.9018","0.0006","7.6619","0.0009","9.2433","0.001","88.98","0.012","75.434","0.011","87.049","0.012","404","0.08","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridazin-4-yl)benzene-κ^2^<i>N</i>^2^:<i>N</i>^2'^]bis(μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)cadmium(II)]","","- C16 H10 Cd N6 S2 -","- C16 H10 Cd N6 S2 -","- C16 H10 Cd N6 S2 -","1","0.5","TP3018","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions","Acta Crystallographica Section C","2013","69","3","219","224","10.1107/S0108270113002801","","","0.71073","MoKα","","0.0193","0.0185","","","0.048","0.0483","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018842","11.865","0.0003","12.242","0.0003","14.7287","0.0003","68.075","0.001","81.665","0.001","80.437","0.001","1948.99","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{4-[(<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","2","UK3058","de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T.","An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids","Acta Crystallographica Section C","2013","69","3","267","272","10.1107/S0108270113002291","","","0.71073","MoKα","","0.0921","0.0535","","","","0.1516","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018843","8.4506","0.0002","20.1587","0.0006","14.212","0.0003","90","","119.098","0.002","90","","2115.49","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{4-[(<i>E</i>)-3-(4-Ethoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C92 H84 N4 O16 S4 -","4","1","UK3058","de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T.","An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids","Acta Crystallographica Section C","2013","69","3","267","272","10.1107/S0108270113002291","","","0.71073","MoKα","","0.0701","0.0489","","","","0.1432","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018844","8.0981","0.001","12.2931","0.0016","14.6297","0.0019","78.157","0.001","80.994","0.001","74.005","0.001","1362.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[aqua(μ~3~-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C30 H26 Cd N2 O7 S -","- C30 H26 Cd N2 O7 S -","- C60 H52 Cd2 N4 O14 S2 -","2","1","WQ3024","Tao, Jian-Qing","A one-dimensional coordination polymer based on Cd~2~O~2~ clusters: poly[aqua(μ~3~-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section C","2013","69","3","244","246","10.1107/S0108270113001716","","","0.71073","MoKα","","0.0295","0.0258","","","0.0633","0.0648","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018845","8.8247","0.0012","12.0858","0.0017","10.9511","0.0015","90","","102.51","0.002","90","","1140.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(2-Hydroxyethyl)acridin-9(10<i>H</i>)-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","WQ3028","He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong","Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one","Acta Crystallographica Section C","2013","69","3","289","292","10.1107/S0108270113004204","","","0.71073","MoKα","","0.0802","0.0426","","","0.0914","0.1084","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018846","9.3632","0.0016","16.449","0.003","8.0359","0.0014","90","","92.151","0.002","90","","1236.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(2-Chloroethyl)acridin-9(10<i>H</i>)-one","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C60 H48 Cl4 N4 O4 -","4","1","WQ3028","He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong","Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one","Acta Crystallographica Section C","2013","69","3","289","292","10.1107/S0108270113004204","","","0.71073","MoKα","","0.0592","0.0463","","","0.1194","0.1293","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018847","7.0387","0.0003","11.5605","0.001","18.1951","0.0017","90","","90","","90","","1480.6","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]-azepine","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.1166","0.0372","","","0.0672","0.0834","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018848","16.165","0.002","5.2505","0.0003","20.041","0.0019","90","","118.813","0.009","90","","1490.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-2-(5-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-naphtho[1,2-<i>b</i>]azepine","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.1183","0.0572","","","0.1243","0.156","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018849","15.316","0.002","9.923","0.0018","20.225","0.003","90","","90","","90","","3073.8","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>2RS</i>,4<i>SR</i>)-2-(5-bromothiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C18 H14 Br N O S -","- C18 H14 Br N O S -","- C144 H112 Br8 N8 O8 S8 -","8","2","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.0616","0.0376","","","0.0689","0.0763","","","","","","1.033","","","","has coordinates,has Fobs","208744","2020-10-21","18:00:00",""
"2018850","6.2335","0.0006","8.9651","0.0008","24.747","0.002","90","","90","","90","","1383","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>Z</i>)-4-(5-Ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","YP3023","Akerman, Kate J.; Munro, Orde Q.","An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section C","2013","69","3","258","262","10.1107/S0108270113002369","","","0.71073","MoKα","","0.0232","0.0229","","","0.0592","0.0598","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018851","12.3617","0.0007","8.3063","0.0005","14.1054","0.0008","90","","104.114","0.002","90","","1404.62","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>)-4-(5-<i>tert</i>-Butyl-2-hydroxyanilino)pent-3-en-2-one","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","YP3023","Akerman, Kate J.; Munro, Orde Q.","An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section C","2013","69","3","258","262","10.1107/S0108270113002369","","","0.71073","MoKα","","0.0412","0.0379","","","0.0975","0.1001","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018886","12.925","0.003","10.175","0.002","17.334","0.004","90","","104.804","0.004","90","","2204","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[chlorido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 Cl N3 O2 Zn -","- C26 H18 Cl N3 O2 Zn -","- C104 H72 Cl4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.1468","0.0663","","","0.0779","0.0935","","","","","","0.873","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018887","13.046","0.004","10.276","0.003","17.437","0.005","90","","105.568","0.005","90","","2251.9","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[bromido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 Br N3 O2 Zn -","- C26 H18 Br N3 O2 Zn -","- C104 H72 Br4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.0981","0.0446","","","0.0706","0.0808","","","","","","0.816","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018888","13.212","0.008","10.48","0.006","17.535","0.01","90","","107.148","0.009","90","","2320","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[iodido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 I N3 O2 Zn -","- C26 H18 I N3 O2 Zn -","- C104 H72 I4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.0902","0.0492","","","0.1005","0.1124","","","","","","0.896","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018889","17.0178","0.0004","17.0178","0.0004","17.0178","0.0004","90","","90","","90","","4928.4","0.2","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallium tin","","- Ba15.1 Ga31 K0.9 Sn105 -","- Ba15.216 Ga30.96 K0.784 Sn105.04 -","- Ba15.216 Ga30.96 K0.784 Sn105.04 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0285","0.0254","","","0.0961","0.0973","","","","","","1.349","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018890","17.0709","0.0006","17.0709","0.0006","17.0709","0.0006","90","","90","","90","","4974.7","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallium tin","","- Ba11.7 Ga27.4 K4.3 Sn108.6 -","- Ba11.632 Ga27.28 K4.368 Sn108.72 -","- Ba11.632 Ga27.28 K4.368 Sn108.72 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0272","0.0256","","","0.0925","0.0934","","","","","","1.335","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018891","17.1946","0.0008","17.1946","0.0008","17.1946","0.0008","90","","90","","90","","5083.7","0.4","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallum tin","","- Ba3.1 Ga19.5 K12.9 Sn116.5 -","- Ba3.136 Ga19.52 K12.864 Sn116.48 -","- Ba3.136 Ga19.52 K12.864 Sn116.48 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0306","0.0285","","","0.1003","0.1014","","","","","","1.339","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018892","11.9447","0.0004","11.9447","0.0004","11.9447","0.0004","90","","90","","90","","1704.22","0.1","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Potassium barium gallium tin","","- Ba0.3 Ga8.5 K7.7 Sn37.5 -","- Ba0.28 Ga8.264 K7.72 Sn37.736 -","- Ba0.28 Ga8.264 K7.72 Sn37.736 -","1","0.0208333","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0243","0.0193","","","0.042","0.0438","","","","","","1.169","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018893","10.151","0.003","13.063","0.004","16.297","0.005","81.37","0.02","74.2","0.03","85.95","0.04","2054.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-ethoxyphenolato)-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^-bis[(2-ethoxyphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(pyridine-κ<i>N</i>)zinc(II)] toluene hemisolvate","","- C45.5 H50 N2 O8 Zn2 -","- C45.5 H50 N2 O8 Zn2 -","- C91 H100 N4 O16 Zn4 -","2","1","BI3055","Petrus, Rafał; Sobota, Piotr","A dinuclear zinc complex containing a diamond-core geometry: [Zn~2~(μ~2~-GueO)~2~(GueO)~2~(py)~2~]·0.5(toluene) (GueOH is guethol)","Acta Crystallographica Section C","2013","69","4","372","375","10.1107/S0108270113006537","","","0.71073","MoKα","","0.0408","0.0295","","","0.0716","0.0741","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018894","10.1805","0.0002","14.5849","0.0004","10.3843","0.0002","90","","100.404","0.001","90","","1516.53","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Phenoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C64 H84 Cl4 N8 O8 -","4","1","CU3025","Mesto, E.; Quaranta, E.","Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts","Acta Crystallographica Section C","2013","69","4","444","447","10.1107/S0108270113005970","","","0.71073","MoKα","","0.054","0.0371","","0.0599","0.0439","0.0419","","","","","","1.0459","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018895","6.6506","0.0004","15.5432","0.001","13.2041","0.001","90","","90.237","0.005","90","","1364.92","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Methcarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride monohydrate","","- C11 H21 Cl N2 O3 -","- C11 H21 Cl N2 O3 -","- C44 H84 Cl4 N8 O12 -","4","1","CU3025","Mesto, E.; Quaranta, E.","Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts","Acta Crystallographica Section C","2013","69","4","444","447","10.1107/S0108270113005970","","","0.71073","MoKα","","0.0622","0.0452","","0.0766","0.0499","0.0467","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018896","11.2397","0.0008","16.7124","0.0013","8.6528","0.0006","90","","96.15","0.001","90","","1616","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Frovatriptan acetate","(±)-6-Carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium acetate","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.069","0.0495","","","0.1101","0.1203","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018897","10.6206","0.0006","7.9939","0.0005","22.3916","0.0013","90","","92.884","0.001","90","","1898.64","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Frovatriptan succinate monohydrate","(<i>R</i>)-(+)-6-Carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium 3-carboxypropanoate monohydrate","","- C18 H25 N3 O6 -","- C18 H25 N3 O6 -","- C72 H100 N12 O24 -","4","2","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0745","0.0659","","","0.1524","0.1573","","","","","","1.141","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018898","8.7239","0.0011","18.662","0.002","10.127","0.0013","90","","96.098","0.002","90","","1639.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(frovatriptan) succinate trihydrate","Bis[(<i>R</i>)-(+)-6-carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium] succinate trihydrate","","- C32 H46 N6 O9 -","- C32 H46 N6 O9 -","- C64 H92 N12 O18 -","2","1","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0441","0.041","","","0.0996","0.1018","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018899","10.029","0.007","15.242","0.005","17.922","0.005","90","","93.5","0.05","90","","2734","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium","","- C34 H21 O3 P Ru -","- C34 H21 O3 P Ru -","- C136 H84 O12 P4 Ru4 -","4","1","DT3019","Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo","Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","Acta Crystallographica Section C","2013","69","4","363","366","10.1107/S0108270113005489","","","0.71073","MoKα","","0.1144","0.0647","","","0.0709","0.0807","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018900","9.3325","0.0013","13.96","0.002","17.865","0.003","90","","103.771","0.013","90","","2260.6","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","","- C22 H8 O9 Os3 -","- C22 H8 O9 Os3 -","- C88 H32 O36 Os12 -","4","1","DT3019","Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo","Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","Acta Crystallographica Section C","2013","69","4","363","366","10.1107/S0108270113005489","","","0.71073","MoKα","","0.0765","0.0437","","","0.0802","0.0903","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018901","11.357","0.003","12.588","0.003","19.254","0.005","84.268","0.012","77.257","0.012","66.283","0.01","2457.9","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Poly[[decaaquabis[μ~3~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]bis[μ~2~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]tetracopper(II)dineodymium(III)] bis{[2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]cuprate(II)} tetradecahydrate]","","- C33 H48 Br3 Cu3 N6 Nd O24 -","- C33 H48 Br3 Cu3 N6 Nd O24 -","- C66 H96 Br6 Cu6 N12 Nd2 O48 -","2","1","EG3114","Xu, Li-Qing; Lu, Li-Ping; Zhu, Miao-Li","Analogy to a Chinese knot in an ion-pair copper(II)‒neodymium(III) complex based on a hexadentate Schiff base condensation product of 5-bromosalicylaldehyde and glycylglycine","Acta Crystallographica Section C","2013","69","4","376","379","10.1107/S0108270113006367","","","0.71073","MoKα","","0.1019","0.0606","","","0.1368","0.1585","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018902","9.1323","0.0002","8.9812","0.0002","27.1824","0.0006","90","","90","","90","","2229.47","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(±)-amphetamine gold(III) dichloride","[<i>D</i>,<i>L</i>-2-(2-Aminopropyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]dichloridogold(III)","","- C9 H12 Au Cl2 N -","- C9 H12 Au Cl2 N -","- C72 H96 Au8 Cl16 N8 -","8","1","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.042","0.042","","","0.102","0.102","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018903","7.3561","0.0001","14.2394","0.0002","13.9103","0.0002","90","","90.077","0.001","90","","1457.05","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-methamphetamine tetrachloaurate(III)","<i>D</i>-Methyl(1-phenylpropan-2-yl)azanium tetrachloridoaurate(III)","","- C10 H16 Au Cl4 N -","- C10 H16 Au Cl4 N -","- C40 H64 Au4 Cl16 N4 -","4","2","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.029","0.029","","","0.071","0.071","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018904","7.7537","0.0004","25.0264","0.0013","15.4587","0.0008","90","","93.92","0.002","90","","2992.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(±)-ephedrine tetrachloaurate(III)","<i>D</i>,<i>L</i>-(1-Hydroxy-1-phenylpropan-2-yl)(methyl)azanium tetrachloridoaurate(III)","","- C10 H16 Au Cl4 N O -","- C10 H16 Au Cl4 N O -","- C80 H128 Au8 Cl32 N8 O8 -","8","2","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.046","0.04","","","0.091","0.094","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018905","16.2247","0.0019","16.2247","0.0019","7.6586","0.0008","90","","90","","90","","2016.1","0.4","91","2","91","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-Bromo-6-hydroxy-7,8-dimethylchroman-2-one","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C88 H88 Br8 O24 -","8","1","FA3310","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one","Acta Crystallographica Section C","2013","69","4","407","411","10.1107/S0108270113005325","","","0.71073","MoKα","","0.0363","0.0323","","","0.0754","0.0776","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018906","5.0922","0.0012","7.3347","0.0015","13.942","0.003","97.657","0.012","100.072","0.011","90.862","0.012","507.74","0.19","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","6-Hydroxy-7,8-dimethyl-5-nitrochroman-2-one","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","FA3310","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one","Acta Crystallographica Section C","2013","69","4","407","411","10.1107/S0108270113005325","","","0.71073","MoKα","","0.1133","0.0755","","","0.1748","0.2044","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018907","6.7283","0.0013","6.7839","0.0014","17.332","0.004","88.181","0.013","89.349","0.014","62.515","0.012","701.5","0.3","5","2","5","2","","","","","","","","4","P -1","-P 1","2","magnesium sulfate undecahydrate","Hexaaquamagnesium(II) sulfate pentahydrate","","- H22 Mg O15 S -","- H22 Mg O15 S -","- H44 Mg2 O30 S2 -","2","1","KU3086","Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J.","MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data","Acta Crystallographica Section C","2013","69","4","324","329","10.1107/S0108270113005751","","neutron","","neutron","","0.0668","0.0668","","","0.1868","0.1868","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018908","6.7721","0.0018","6.917","0.002","17.41","0.005","88.21","0.02","89.43","0.02","62.768","0.018","724.8","0.4","10","2","10","2","","","","","","","","4","P -1","-P 1","2","magnesium chromate undecahydrate","Hexaaquamagnesium(II) chromate pentahydrate","","- Cr H22 Mg O15 -","- Cr H22 Mg O15 -","- Cr2 H44 Mg2 O30 -","2","1","KU3086","Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J.","MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data","Acta Crystallographica Section C","2013","69","4","324","329","10.1107/S0108270113005751","","neutron","","neutron","","0.083","0.083","","","0.2236","0.2236","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018909","9.5819","0.0002","6.78424","0.00014","11.7152","0.0003","90","","90","","90","","761.56","0.03","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.77-perhydrate 0.23-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.77 -","- C5 H13 N O3.767 -","- C20 H52 N4 O15.068 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0404","0.0338","","","0.0766","0.0808","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018910","9.4916","0.00015","6.7062","0.00011","11.5975","0.0002","90","","90","","90","","738.21","0.02","100","2","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.76-perhydrate 0.24-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.76 -","- C5 H13 N O3.762 -","- C20 H52 N4 O15.048 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0258","0.0253","","","0.0648","0.0651","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018911","12.0729","0.001","29.176","0.002","11.8511","0.0009","90","","94.417","0.001","90","","4162","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","di-3phenylpropylamino-gossypol","2,2'-Bis{1,6-dihydroxy-5-isopropyl-8-[(3-phenylpropylamino)methylidene]naphthalen-7-one}","","- C48 H52 N2 O6 -","- C48 H52 N2 O6 -","- C192 H208 N8 O24 -","4","1","KU3090","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol","Acta Crystallographica Section C","2013","69","4","439","443","10.1107/S0108270113006288","","","0.71073","MoKα","","0.0829","0.0535","","","0.152","0.1672","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018912","11.9559","0.0009","29.079","0.002","11.6918","0.0009","90","","94.207","0.001","90","","4053.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","di-3phenylpropylamino-gossypol","2,2'-Bis{1,6-dihydroxy-5-isopropyl-8-[(3-phenylpropylamino)methylidene]naphthalen-7-one}","","- C48 H52 N2 O6 -","- C48 H52 N2 O6 -","- C192 H208 N8 O24 -","4","1","KU3090","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol","Acta Crystallographica Section C","2013","69","4","439","443","10.1107/S0108270113006288","","","0.71073","MoKα","","0.0535","0.0453","","","0.1214","0.1266","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018913","7.5555","0.0001","21.9603","0.0005","9.8497","0.0002","90","","105.259","0.0009","90","","1576.66","0.05","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[copper(II)-bis[μ-3-carboxy-5-[(imidazol-1-yl)methyl]benzoato]] dimethylformamide disolvate]","","- C30 H32 Cu N6 O10 -","- C30 H32 Cu N6 O10 -","- C60 H64 Cu2 N12 O20 -","2","0.5","KU3092","Patra, Ranjan; Goldberg, Israel","A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations","Acta Crystallographica Section C","2013","69","4","344","347","10.1107/S0108270113005313","","","0.71073","MoKα","","0.082","0.0534","","","0.1386","0.1552","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018914","7.7557","0.0002","21.9826","0.0004","9.816","0.0003","90","","102.92","0.0009","90","","1631.17","0.07","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[copper(II)-bis[μ-3-carboxy-5-[(imidazol-1-yl)methyl]benzoato]] dimethylacetamide disolvate]","","- C32 H36 Cu N6 O10 -","- C32 H36 Cu N6 O10 -","- C64 H72 Cu2 N12 O20 -","2","0.5","KU3092","Patra, Ranjan; Goldberg, Israel","A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations","Acta Crystallographica Section C","2013","69","4","344","347","10.1107/S0108270113005313","","","0.71073","MoKα","","0.0786","0.0485","","","0.1161","0.1294","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018915","15.3648","0.0004","7.3374","0.0002","26.7111","0.0006","90","","93.919","0.001","90","","3004.31","0.13","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κ<i>S</i>)zinc(II)","","- C7 H13 Cl3 N4 S2 Zn -","- C7 H13 Cl3 N4 S2 Zn -","- C56 H104 Cl24 N32 S16 Zn8 -","8","1","KY3022","Fu, Wei-Wei; Chen, Man-Sheng; Liu, Yang; Zhang, Fu-Xing","(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κ<i>S</i>)zinc(II)","Acta Crystallographica Section C","2013","69","4","384","387","10.1107/S0108270113006380","","","0.71073","MoKα","","0.0161","0.0153","","","0.0396","0.0401","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018916","24.234","0.006","51.149","0.012","6.952","0.002","90","","90","","90","","8617","4","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine","","- C28 H24 Si -","- C28 H24 Si -","- C448 H384 Si16 -","16","1","KY3030","Clegg, William; Harrington, Ross W.; Mercier, Lauren G.; Piers, Warren E.","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine: a synchrotron study","Acta Crystallographica Section C","2013","69","4","436","438","10.1107/S0108270113005659","","","0.6889","synchrotron","","0.0344","0.0304","","","0.0723","0.0736","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018917","10.0371","0.0003","9.0733","0.0003","11.4901","0.0004","90","","102.12","0.003","90","","1023.07","0.06","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-amminedibromido(2-methylpyridine-κ<i>N</i>)platinum(II)","","- C6 H10 Br2 N2 Pt -","- C6 H10 Br2 N2 Pt -","- C24 H40 Br8 N8 Pt4 -","4","1","LN3155","Pažout, Richard; Maixner, Jaroslav; Hrdá, Michaela; Loužilová, Tereza; Kačer, Petr","A bromine analogue of picoplatin: a new substance from the group of platinum-based chemotherapeutics","Acta Crystallographica Section C","2013","69","4","337","339","10.1107/S0108270113004708","","","1.5418","CuKα","","0.0366","0.0303","","","0.0347","0.0357","","","","","","1.69","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018918","7.4946","0.0002","7.4946","0.0002","7.5457","0.0002","90","","90","","90","","423.83","0.02","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Lithium/ammonium perchlorate","","- Cl H2.35 Li0.41 N0.59 O4 -","- Cl H2.36 Li0.41 N0.59 O4 -","- Cl4 H9.44 Li1.64 N2.36 O16 -","4","0.25","OV3020","Walha, Siwar; Bouchaala, Mahmoud; Ben Salah, Abdelhamid","The interpenetrated three-dimensional framework of a new mixed lithium/ammonium perchlorate grown in a gel medium","Acta Crystallographica Section C","2013","69","4","315","318","10.1107/S0108270113005684","","","0.71073","MoKα","","0.0378","0.0349","","","0.1343","0.1391","","","","","","1.327","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018919","12.0692","0.0015","12.7108","0.0017","12.882","0.002","90","","90","","90","","1976.2","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0421","0.0375","","","0.1061","0.1086","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018920","12.0802","0.0019","12.763","0.0019","12.832","0.002","90","","90","","90","","1978.4","0.5","200","","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0469","0.0348","","","0.0831","0.0875","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018921","7.557","0.0016","12.223","0.003","12.681","0.003","111.615","0.003","92.294","0.004","101.13","0.004","1060.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate","","- C42 H40 Cl2 Cu2 N6 O8 -","- C42 H40 Cl2 Cu2 N6 O8 -","- C42 H40 Cl2 Cu2 N6 O8 -","1","0.5","OV3024","Zhao, Ning","Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate","Acta Crystallographica Section C","2013","69","4","348","350","10.1107/S0108270113005118","","","0.71073","MoKα","","0.0381","0.0317","","","0.1015","0.1141","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018922","15.6553","0.0002","9.0565","0.0001","8.5568","0.0001","90","","90.017","0.001","90","","1213.2","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium aluminium silicate","","- Al K O4 Si -","- Al K0.958167 O4 Si -","- Al12 K11.498 O48 Si12 -","12","6","QS3022","Kremenović, Aleksandar; Lazic, Biljana; Krüger, Hannes; Tribus, Martina; Vulić, Predrag","Monoclinic structure and nonstoichiometry of `KAlSiO~4~-<i>O1</i>'","Acta Crystallographica Section C","2013","69","4","334","336","10.1107/S0108270113006069","","","0.71073","MoKα","","0.0435","0.0398","","","0.0543","0.0552","","","","","","1.44","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018923","14.8473","0.0005","7.7578","0.0003","21.8602","0.0007","90","","96.954","0.001","90","","2499.39","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-3,5-Bis[4-(diethylamino)benzylidene]-4-piperidone methanol monosolvate","","- C28 H39 N3 O2 -","- C28 H39 N3 O2 -","- C112 H156 N12 O8 -","4","1","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.053","0.0416","","","0.1029","0.1084","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018924","11.1075","0.0015","12.965","0.0018","17.899","0.003","96.32","0.003","92.211","0.003","95.861","0.003","2545.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis{(<i>E</i>,<i>E</i>)-3,5-bis[4-(diethylamino)benzylidene]-4-oxopiperidinium} butanedioate","","- C58 H76 N6 O6 -","- C58.002 H76 N6 O6 -","- C116.004 H152 N12 O12 -","2","1","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.1005","0.0666","","","0.1681","0.1846","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018925","8.2905","0.0008","12.7532","0.0013","14.0762","0.0014","87.076","0.002","77.516","0.002","78.66","0.002","1424.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis{(<i>E</i>,<i>E</i>)-3,5-bis[4-(diethylamino)benzylidene]-4-oxopiperidinium} decanedioate","","- C64 H88 N6 O6 -","- C64 H88 N6 O6 -","- C64 H88 N6 O6 -","1","0.5","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.07","0.0461","","","0.1089","0.1178","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018926","15.373","0.003","15.373","0.003","13.287","0.002","90","","90","","90","","3140.1","1","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Tetrakis[μ~3~-(pyridin-2-yl)methanolato]-<i>tetrahedro</i>-tetrakis[chloridolead(II)]","","- C24 H24 Cl4 N4 O4 Pb4 -","- C24 H24 Cl4 N4 O4 Pb4 -","- C96 H96 Cl16 N16 O16 Pb16 -","4","0.25","QS3024","Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min","Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units","Acta Crystallographica Section C","2013","69","4","394","399","10.1107/S0108270113006987","","","0.71073","MoKα","","0.0375","0.026","","","0.0572","0.0609","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018927","10.0543","0.0015","10.3292","0.0016","8.3716","0.0009","90","","91.388","0.002","90","","869.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~2~-nitrato)[μ~2~-(pyridin-2-yl)methanolato]lead(II)]","","- C6 H6 N2 O4 Pb -","- C6 H6 N2 O4 Pb -","- C24 H24 N8 O16 Pb4 -","4","1","QS3024","Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min","Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units","Acta Crystallographica Section C","2013","69","4","394","399","10.1107/S0108270113006987","","","0.71073","MoKα","","0.0463","0.0366","","","0.0856","0.09","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018928","4.7783","0.0001","10.7727","0.0002","22.9128","0.0005","90","","90","","90","","1179.44","0.04","298","2","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1<i>H</i>-Imidazol-3-ium 1,4-dioxo-1,4-dihydronaphthalen-2-olate","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","SF3193","Ribeiro, Marcos Antônio; Oliveira, Willian Xerxes Coelho; Stumpf, Humberto Osório; Pinheiro, Carlos Basílio","The structure of the 1<i>H</i>-imidazol-3-ium lawsonate salt aided by <i>ab initio</i> gas-phase calculations","Acta Crystallographica Section C","2013","69","4","403","406","10.1107/S0108270113005106","","","1.5418","CuKα","","0.0371","0.0347","","","0.085","0.0879","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018929","12.8286","0.0017","13.065","0.0019","13.8347","0.0019","90","","102.683","0.003","90","","2262.2","0.5","184.5","0.2","184.5","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]","","- C26 H19 N3 O5 Zn -","- C26 H19 N3 O5 Zn -","- C104 H76 N12 O20 Zn4 -","4","1","SK3465","Wang, Guan-Hua; Lei, Yong-Qian","A fourfold interpenetrating diamondoid three-dimensional coordination polymer: poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]","Acta Crystallographica Section C","2013","69","4","360","362","10.1107/S0108270113005143","","","0.71073","MoKα","","0.1575","0.0849","","","0.1369","0.1618","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018930","9.6402","0.0007","9.9899","0.0007","10.7775","0.0007","78.834","0.001","82.856","0.001","89.704","0.001","1010.18","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","<i>mer</i>-μ-Oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate","","- C42 H40 Cl2 Co2 N8 O4 -","- C42 H40 Cl2 Co2 N8 O4 -","- C42 H40 Cl2 Co2 N8 O4 -","1","0.5","SK3477","Modec, Barbara","Polymorphism of <i>mer</i>-μ-oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate","Acta Crystallographica Section C","2013","69","4","340","343","10.1107/S010827011300499X","","","0.71073","MoKα","","0.0601","0.0377","","","0.0774","0.0844","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018931","11.8007","0.0003","11.7095","0.0003","13.6967","0.0003","90","","113.53","0.012","90","","1735.25","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate monohydrate","","- C12 H22 N2 Ni O9 S -","- C12 H22 N2 Ni O9 S -","- C48 H88 N8 Ni4 O36 S4 -","4","1","SK3478","Suarez, Sebastián; Doctorovich, Fabio; Harvey, Miguel Angel; Baggio, Ricardo","Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate monohydrate: a simple molecule with an extremely complex hydrogen-bonding scheme","Acta Crystallographica Section C","2013","69","4","351","355","10.1107/S0108270113005088","","","0.71073","MoKα","","0.0281","0.0268","","","0.0738","0.075","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018932","10.0323","0.0004","10.3715","0.0005","11.7411","0.0005","109.211","0.002","96.105","0.002","95.676","0.002","1135.37","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[3-Methyl-4-(4-methylphenyl)-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","","- C26 H18 F3 N3 O S -","- C26 H18 F3 N3 O S -","- C52 H36 F6 N6 O2 S2 -","2","1","TP3020","Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V.","Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule","Acta Crystallographica Section C","2013","69","4","412","415","10.1107/S0108270113004812","","","0.71073","MoKα","","0.0683","0.0447","","","0.1104","0.1264","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018933","10.0018","0.0007","10.3503","0.0008","11.6309","0.001","108.607","0.004","95.295","0.004","95.628","0.004","1125.82","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","[4-(4-Chlorophenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","","- C25 H15 Cl F3 N3 O S -","- C25 H15 Cl F3 N3 O S -","- C50 H30 Cl2 F6 N6 O2 S2 -","2","1","TP3020","Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V.","Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule","Acta Crystallographica Section C","2013","69","4","412","415","10.1107/S0108270113004812","","","0.71073","MoKα","","0.0571","0.037","","","0.0868","0.0973","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018934","6.5975","0.0006","13.0254","0.001","13.3531","0.001","103.739","0.002","98.123","0.003","99.217","0.002","1080.86","0.15","296","","296","","","","","","","","","6","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalene‒2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone (1/1)","Bi[5,6-dihydro-1,3-dithiolo[4,5-b][1,4]-dithiine-2-ylidene]‒2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone (1/1)","","- C18 H8 Cl2 N2 O2 S8 -","- C18 H8 Cl2 N2 O2 S8 -","- C36 H16 Cl4 N4 O4 S16 -","2","1","UK3064","Nakagawa, Yuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","The bis(ethylenedithio)tetrathiafulvalene-based ionic charge-transfer complex with 2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone","Acta Crystallographica Section C","2013","69","4","400","402","10.1107/S0108270113003685","","","0.71075","MoKα","","0.1005","0.0712","","","0.1706","0.1875","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018935","9.739","0.003","21.26","0.007","9.952","0.003","90","","103.851","0.003","90","","2000.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-{2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol-κ^2^<i>N</i>^2^:<i>N</i>^3^}] perchlorate monohydrate]","","- C19 H17 Ag Cl N3 O6 -","- C19 H17 Ag Cl N3 O6 -","- C76 H68 Ag4 Cl4 N12 O24 -","4","1","WQ3027","Hu, Dong-Cheng; Xiao, Chao-Hu; Guo, Guo-Zhe; Yang, Yun-Xia; Liu, Jia-Cheng","A one-dimensional silver(I) coordination polymer based on the 2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol ligand exhibiting photoluminescence","Acta Crystallographica Section C","2013","69","4","356","359","10.1107/S0108270113005817","","","0.71073","MoKα","","0.0512","0.0383","","","0.0902","0.0983","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018936","8.438","0.002","24.957","0.005","16.221","0.004","90","","93.914","0.016","90","","3408","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-7-Bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","","- C21 H20 Br N O -","- C21 H20 Br N O -","- C168 H160 Br8 N8 O8 -","8","2","YF3028","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","Acta Crystallographica Section C","2013","69","4","448","452","10.1107/S0108270113006458","","","0.71073","MoKα","","0.0662","0.0401","","","0.0678","0.0748","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018937","25.431","0.005","16.318","0.003","8.0193","0.0006","90","","104.021","0.01","90","","3228.7","0.9","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>RS</i>,4<i>SR</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","","- C19 H19 N O S -","- C19 H19 N O S -","- C152 H152 N8 O8 S8 -","8","2","YF3028","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","Acta Crystallographica Section C","2013","69","4","448","452","10.1107/S0108270113006458","","","0.71073","MoKα","","0.0623","0.048","","","0.0937","0.0994","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018938","10.039","0.002","14.652","0.003","13.976","0.004","90","","129.823","0.018","90","","1578.9","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-μ-chlorido-trichloridodicuprate(II)]]","","- C12 H32 Cl12 Cu4 N4 O6 -","- C12 H32 Cl12 Cu4 N4 O6 -","- C24 H64 Cl24 Cu8 N8 O12 -","2","0.5","YP3024","Liao, Wei-Qiang; Zhou, Qin-Qin; Zhang, Yi","<i>catena</i>-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-μ-chlorido-trichloridodicuprate(II)]]","Acta Crystallographica Section C","2013","69","4","380","383","10.1107/S0108270113006719","","","0.71073","MoKα","","0.0539","0.0388","","","0.0783","0.0831","","","","","","1.078","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2018939","19.0469","0.0011","8.7313","0.0004","23.608","0.0015","90","","100.45","0.006","90","","3861","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)","","- C41 H39 Cu N O9 P2 -","- C41 H39 Cu N O9 P2 -","- C164 H156 Cu4 N4 O36 P8 -","4","0.5","BG3156","Zhou, Mengbo; Song, Li; Niu, Feng; Shu, Kangying; Chai, Wenxiang","A square-pyramidal copper(II) complex with strong intramolecular hydrogen bonds: diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)","Acta Crystallographica Section C","2013","69","5","463","466","10.1107/S0108270113008317","","","0.7107","MoKα","","0.0603","0.0403","","","0.085","0.092","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018940","16.4404","0.0005","21.0317","0.0006","9.8219","0.0003","90","","117.814","0.003","90","","3003.75","0.18","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C28 H24 Cl4 Cu N5 O2 P -","- C28 H24 Cl4 Cu N5 O2 P -","- C112 H96 Cl16 Cu4 N20 O8 P4 -","4","1","BG3157","Gubina, Kateryna; Ovchynnikov, Vladimir; Amirkhanov, Vladymir; Shishkina, Svetlana","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2013","69","6","606","609","10.1107/S0108270113011943","","","0.71073","MoKα","","0.0607","0.0387","","","0.0889","0.1008","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018941","9.6679","0.0008","9.7024","0.0008","12.3648","0.001","90","","99.969","0.001","90","","1142.33","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) [tetra-μ~2~-thiocyanato-κ^4^<i>S</i>:<i>S</i>;κ^4^<i>S</i>:<i>N</i>-dicopper(I)]]","","- C16 H20 Cu2 N8 S4 -","- C8 H10 Cu N4 S2 -","- C32 H40 Cu4 N16 S8 -","4","1","BG3158","Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di","A novel two-dimensional CuSCN network templated by 2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) cations","Acta Crystallographica Section C","2013","69","6","610","612","10.1107/S0108270113011992","","","0.71073","MoKα","","0.0431","0.0377","","","0.1168","0.1226","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018942","25.1037","0.0008","17.2675","0.0008","14.9338","0.0006","90","","90.042","0.002","90","","6473.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-3,4-dimethoxy-<i>trans</i>-cinnamato-κ^2^<i>O</i>:<i>O</i>')bis[[4-(1<i>H</i>-pyrazol-3-yl)pyridine]zinc(II)] heptahydrate","","- C60 H72 N6 O23 Zn2 -","- C60 H72 N6 O23 Zn2 -","- C240 H288 N24 O92 Zn8 -","4","0.5","DT3018","Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song","Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","5","471","475","10.1107/S0108270113007075","","","0.71073","MoKα","","0.0524","0.0408","","","0.108","0.1162","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018943","26.6175","0.0011","6.0635","0.0003","18.7796","0.0009","90","","110.954","0.002","90","","2830.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(3,4-dimethoxy-<i>trans</i>-cinnamato-κ<i>O</i>)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C32 H30 N2 O8 Zn -","- C32 H30 N2 O8 Zn -","- C128 H120 N8 O32 Zn4 -","4","0.5","DT3018","Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song","Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","5","471","475","10.1107/S0108270113007075","","","0.71073","MoKα","","0.0472","0.0394","","","0.0993","0.1049","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018944","9.379","0.002","10.023","0.002","13.773","0.003","101.504","0.003","107.424","0.003","99.561","0.003","1174.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dibromidocadmium(II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole] monohydrate]","","- C24 H20 Br2 Cd N4 O -","- C24 H20 Br2 Cd N4 O -","- C48 H40 Br4 Cd2 N8 O2 -","2","1","EG3111","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)","Acta Crystallographica Section C","2013","69","5","476","479","10.1107/S0108270113006471","","","0.71073","MoKα","","0.0786","0.0624","","","0.1669","0.1784","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018945","9.128","0.002","10.254","0.003","13.429","0.004","70.065","0.003","77.717","0.004","86.952","0.003","1154.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diiodidocadmium (II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole]","","- C24 H18 Cd I2 N4 -","- C24 H18 Cd I2 N4 -","- C48 H36 Cd2 I4 N8 -","2","1","EG3111","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)","Acta Crystallographica Section C","2013","69","5","476","479","10.1107/S0108270113006471","","","0.71073","MoKα","","0.0361","0.0304","","","0.0745","0.0771","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018946","9.771","0.002","16.807","0.002","19.692","0.002","90","","93.976","0.007","90","","3226.1","0.8","134","2","134","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(3',5'-Dimethylbiphenyl-2-yl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C19 H14 N4 -","- C19 H14 N4 -","- C152 H112 N32 -","8","2","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","0.71073","MoKα","","0.1275","0.0521","","","0.0766","0.0929","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018947","12.373","0.001","10.303","0.002","13.279","0.002","90","","92.578","0.007","90","","1691.1","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2',4',6'-Trimethylbiphenyl-2-yl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","1","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","0.71073","MoKα","","0.0696","0.0403","","","0.0939","0.1035","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018948","16.7042","0.0014","7.1632","0.0007","15.0528","0.0011","90","","90","","90","","1801.2","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-[8-(3,5-Dimethylphenyl)naphthalen-1-yl]-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","1.5418","CuKα","","0.0271","0.0268","","","0.0701","0.0703","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018949","4.3137","0.0004","27.918","0.002","17.6437","0.0015","90","","93.897","0.001","90","","2119.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)]","","- C17 H10 I2 O9 Pb2 -","- C17 H10 I2 O9 Pb2 -","- C68 H40 I8 O36 Pb8 -","4","1","EM3057","Luo, Shao-Hua","Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel centrosymmetric rhombus-shaped I~4~ unit","Acta Crystallographica Section C","2013","69","5","494","497","10.1107/S0108270113010007","","","0.71073","MoKα","","0.0383","0.0318","","","0.0681","0.0701","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018950","13.5049","0.0004","14.3144","0.0005","19.677","0.0006","89.772","0.002","78.954","0.002","74.262","0.002","3588.8","0.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","Di-μ-dichlorido-bis{bis[2-(5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III)} toluene monosolvate","","- C79 H60 Cl2 F4 Ir2 N4 O8 S4 -","- C72 H52 Cl2 F4 Ir2 N4 O8 S4 -","- C144 H104 Cl4 F8 Ir4 N8 O16 S8 -","2","1","FA3306","Mesto, Ernesto; Scordari, Fernando; Lacalamita, Maria; De Cola, Luisa; Ragni, Roberta; Farinola, Gianluca Maria","The correct assignment of stereochemistry in di-μ-dichlorido-bis{bis[2-(5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III)} toluene monosolvate","Acta Crystallographica Section C","2013","69","5","480","482","10.1107/S010827011300663X","","","0.71073","MoKα","","0.0948","0.0443","","0.0653","0.0455","0.0426","","","","","","1.1381","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018951","5.3101","0.0012","29.081","0.007","6.6757","0.0015","90","","90.829","0.003","90","","1030.8","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolyl-L-serine","(<i>S</i>)-3-Hydroxy-2-[(<i>S</i>)-pyrrolidine-2-carboxamido]propanoic acid","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","2","FA3314","Görbitz, Carl Henrik; Yadav, Vitthal N.","A water wire in <small>L</small>-prolyl-<small>L</small>-serine monohydrate","Acta Crystallographica Section C","2013","69","5","556","559","10.1107/S0108270113010299","","","0.71073","MoKα","","0.0591","0.0435","","","0.1029","0.1099","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018952","10.454","0.002","35.61","0.007","14.408","0.003","90","","95.61","0.03","90","","5337.9","1.9","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoic acid 4-benzyloxy-6-(2-chloroacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-3-yl ester; acetic acid 5-azido-4-benzyloxy-3-(9<i>H</i>-fluoren-9-ylmethoxycarbonyloxy)-6-methoxytetrahydr-pyran-2-ylmethyl ester","4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<i>D</i>-glucopyranoside","","- C59 H56 Cl N3 O16 -","- C59 H56 Cl N3 O16 -","- C236 H224 Cl4 N12 O64 -","4","2","FA3316","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.","Translationally related nearly identical molecules: 4-methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<small>D</small>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2013","69","6","679","682","10.1107/S010827011301367X","","","1.54178","CuKα","","0.084","0.0574","","","0.133","0.1554","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018953","11.8476","0.0003","7.2879","0.0002","12.1343","0.0003","90","","105.018","0.003","90","","1011.94","0.05","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 5-sulfosalicylate monohydrate","Ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C7 H11 N O7 S -","- C7 H11 N O7 S -","- C28 H44 N4 O28 S4 -","4","1","FG3289","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2013","69","5","534","537","10.1107/S0108270113008846","","","0.71073","MoKα","","0.0359","0.0288","","","0.078","0.0798","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018954","18.7682","0.0008","5.0027","0.0002","21.2122","0.001","90","","101.99","0.004","90","","1948.2","0.15","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","triammonium 5-sulfosalicylate","Triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","","- C14 H21 N3 O12 S2 -","- C14 H21 N3 O12 S2 -","- C56 H84 N12 O48 S8 -","4","1","FG3289","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2013","69","5","534","537","10.1107/S0108270113008846","","","0.71073","MoKα","","0.0343","0.0292","","","0.0625","0.0636","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018955","4.5971","0.0003","15.4607","0.0011","41.389","0.003","90","","90.31","0.005","90","","2941.7","0.4","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cadaverinium dibromide","Pentane-1,5-diaminium dibromide","","- C5 H16 Br2 N2 -","- C5.00033 H16 Br2 N2.00033 -","- C60.004 H192 Br24 N24.004 -","12","3","FN3129","Arderne, Charmaine","Pentane-1,5-diaminium dibromide","Acta Crystallographica Section C","2013","69","5","526","528","10.1107/S0108270113007762","","","0.71073","MoKα","","0.057","0.0299","","","0.0471","0.0494","","","","","","0.887","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018956","6.964","0.002","11.3","0.003","13.088","0.004","90","","90","","90","","1029.9","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Indium pentaoxidofluoridotellurate(IV)","","- F In O5 Te2 -","- F In O5 Te2 -","- F8 In8 O40 Te16 -","8","1","FN3131","Jennene Boukharrata, Nefla; Duclère, Jean-René; Laval, Jean-Paul; Thomas, Philippe","A new oxyfluorotellurate(IV), InTe~2~O~5~F","Acta Crystallographica Section C","2013","69","5","460","462","10.1107/S010827011300913X","","","0.71073","MoKα","","0.0185","0.015","","","0.0236","0.024","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018957","12.1097","0.0014","12.7228","0.0015","25.46","0.003","90","","90","","90","","3922.6","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","","- C19 H20 Cl Cu N3 O4 -","- C19 H20 Cl Cu N3 O4 -","- C152 H160 Cl8 Cu8 N24 O32 -","8","1","FN3134","Wang, Min; Lian, Zhao-Xun","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2013","69","6","594","596","10.1107/S0108270113011967","","","0.71073","MoKα","","0.0812","0.0417","","","0.1016","0.1185","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018958","9.5672","0.0019","19.153","0.004","23.006","0.005","90","","101.53","0.03","90","","4130.6","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate","","- C72 H68 Cl4 Cu8 N16 O16 S4 -","- C72 H68 Cl4 Cu8 N16 O16 S4 -","- C144 H136 Cl8 Cu16 N32 O32 S8 -","2","0.5","FN3135","Liu, Jian-Jun; Liao, Jian-Zhen; Li, Zuo-Yin; Wang, Yao; Huang, Chang-Cang","Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate","Acta Crystallographica Section C","2013","69","6","613","615","10.1107/S0108270113012547","","","0.71073","MoKα","","0.137","0.0452","","","0.0564","0.0667","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018959","5.964","0.002","9.777","0.004","17.469","0.006","90","","90","","90","","1018.6","0.6","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol","","- C9 H20 O2 -","- C9 H20 O2 -","- C36 H80 O8 -","4","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.031","0.028","","","0.0728","0.0743","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018960","11.459","0.003","5.7077","0.0013","15.247","0.003","90","","103.827","0.003","90","","968.3","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>)-4-Benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.0416","0.0344","","","0.0829","0.0868","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018961","8.4528","0.0005","8.5689","0.0005","12.4424","0.0007","87.84","0.005","72.284","0.005","87.368","0.008","857.31","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","alogliptin","2-({6-[(3<i>R</i>)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile","","- C18 H21 N5 O2 -","- C18 H21 N5 O2 -","- C36 H42 N10 O4 -","2","2","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","0.71073","MoKα","","0.0512","0.0443","","","0.0988","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018962","8.0666","0.0002","9.8727","0.0002","28.4593","0.0006","90","","90","","90","","2266.47","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alogliptin benzoate","(3<i>R</i>)-1-{3-[(2-Cyanophenyl)methyl]-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}piperidin-3-aminium benzoate","","- C25 H27 N5 O4 -","- C25 H27 N5 O4 -","- C100 H108 N20 O16 -","4","1","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","1.5418","CuKα","","0.0316","0.0297","","","0.0749","0.0759","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018963","7.41","0.004","9.742","0.004","8.64","0.003","90","","110.7","0.03","90","","583.4","0.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis(bromomethyl)cyclobutane","","- C8 H12 Br4 -","- C8 H12 Br4 -","- C16 H24 Br8 -","2","0.5","GZ3236","Kelch, André; Dix, Ina; Hopf, Henning; Jones, Peter G.","Bromine‒bromine interactions in the packing of <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-tetrakis(bromomethyl)cyclobutane","Acta Crystallographica Section C","2013","69","6","627","629","10.1107/S0108270113010597","","","0.71073","MoKα","","0.0447","0.0352","","","0.0837","0.0891","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018964","20.412","0.0004","7.173","0.0002","17.8858","0.0004","90","","90","","90","","2618.75","0.11","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dicyanido(2,3,4,6,7,9,10,11-octahydropyrimido[2',1':3,4]pyrazino[1,2-<i>a</i>]pyrimidine)nickel(II) hemihydrate","","- C12 H17 N6 Ni O0.5 -","- C12 H17 N6 Ni O0.5 -","- C96 H136 N48 Ni8 O4 -","8","1","KU3094","Stolárová, Monika; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.","Crystal structure and thermal properties of a square-planar Ni^II^ complex of cyanide and a tricyclic bis-amidine ligand formed <i>in situ</i> under solvothermal conditions","Acta Crystallographica Section C","2013","69","6","565","568","10.1107/S0108270113010585","","","0.71073","MoKα","","0.0632","0.0434","","","0.099","0.107","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018965","8.9365","0.0002","9.7815","0.0002","22.3819","0.0005","86.696","0.002","80.675","0.002","89.888","0.002","1927.34","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[1,1'-biphenyl]-4,4'-dicarboxylato-[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]]","","- C46 H37 Cl N6 O5 Zn -","- C46 H37 Cl N6 O5 Zn -","- C92 H74 Cl2 N12 O10 Zn2 -","2","1","KY3027","Zhou, Wen; Wang, Jian","A one-dimensional zinc(II) coordination polymer incorporating [1,1'-biphenyl]-4,4'-dicarboxylate and <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide ligands","Acta Crystallographica Section C","2013","69","5","486","490","10.1107/S0108270113008111","","","0.71073","MoKα","","0.0923","0.0497","","","0.0991","0.1138","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018966","13.1611","0.0002","14.0977","0.0002","22.1219","0.0003","90","","90.094","0.002","90","","4104.52","0.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfamethazinium 5-nitrosalicylate","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidinium 2-hydroxy-5-nitrobenzoate","","- C19 H19 N5 O7 S -","- C19 H19 N5 O7 S -","- C152 H152 N40 O56 S8 -","8","2","KY3031","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid","Acta Crystallographica Section C","2013","69","5","538","543","10.1107/S0108270113009487","","","0.71073","MoKα","","0.0528","0.0346","","","0.0857","0.0898","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018967","8.3131","0.0002","19.2779","0.0005","13.4483","0.0004","90","","99.158","0.003","90","","2127.74","0.1","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfamethazinium picrate","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidinium 2,4,6-trinitrophenolate","","- C18 H17 N7 O9 S -","- C18 H17 N7 O9 S -","- C72 H68 N28 O36 S4 -","4","1","KY3031","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid","Acta Crystallographica Section C","2013","69","5","538","543","10.1107/S0108270113009487","","","0.71073","MoKα","","0.0479","0.0344","","","0.0873","0.0913","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018968","7.4523","0.0002","8.8189","0.0002","12.1288","0.0003","103.263","0.001","99.042","0.001","101.361","0.001","743.36","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II)","","- C17 H11 Cl2 Cu N3 -","- C17 H11 Cl2 Cu N3 -","- C34 H22 Cl4 Cu2 N6 -","2","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","1.54178","CuKα","","0.0328","0.0312","","","0.0822","0.0834","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018969","11.863","0.0002","7.7022","0.0002","16.8882","0.0003","90","","106.424","0.001","90","","1480.13","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II)","","- C17 H11 Cl2 Cu N3 -","- C17 H11 Cl2 Cu N3 -","- C68 H44 Cl8 Cu4 N12 -","4","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","1.54178","CuKα","","0.0465","0.0368","","","0.0928","0.098","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018970","8.1051","0.001","21.714","0.003","14.4087","0.0019","90","","96.337","0.003","90","","2520.4","0.6","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate‒2-(pyridin-2-yl)-1,10-phenanthroline","","- C26 H29 F6 N4 O P -","- C26 H29 F6 N4 O P -","- C104 H116 F24 N16 O4 P4 -","4","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","0.7749","synchrotron","","0.0568","0.0486","","","0.1446","0.1511","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018971","12.332","0.003","12.461","0.003","12.85","0.003","90","","91.31","0.03","90","","1974.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C48 H64 Mn8 N16 O48 -","8","2","LG3108","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi","Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations","Acta Crystallographica Section C","2013","69","6","616","619","10.1107/S0108270113012638","","","0.71073","MoKα","","0.0517","0.0279","","","0.0588","0.0724","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018972","8.8324","0.0012","8.8324","0.0012","6.4406","0.0013","90","","90","","90","","502.44","0.14","453","2","453","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C12 H16 Mn2 N4 O12 -","2","0.25","LG3108","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi","Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations","Acta Crystallographica Section C","2013","69","6","616","619","10.1107/S0108270113012638","","","0.71073","MoKα","","0.0557","0.0446","","","0.128","0.1353","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018973","16.156","0.0004","8.4129","0.0001","20.3545","0.0006","90","","109.934","0.001","90","","2600.8","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(1<i>S</i>,2<i>R</i>,<i>R</i>~N~)-2,4-Di-<i>tert</i>-butyl-6-{[(1-oxido-1-\ phenylpropan-2-yl)(methyl)amino]methyl}phenolato](methanol)-<i>cis</i>-\ dioxidomolybdenum(VI)‒[(1<i>S</i>,2<i>R</i>,<i>S</i>~N~)-2,4-di-<i>tert</i>-\ butyl-6-{[(1-oxido-1-phenylpropan-2-\ yl)(methyl)amino]methyl}phenolato](methanol)-<i>cis</i>-dioxidomolybdenum(VI)","","- C26 H39 Mo N O5 -","- C26 H39 Mo N O5 -","- C104 H156 Mo4 N4 O20 -","4","2","LG3109","Sillanpää, Reijo; Hänninen, Mikko M.","A cocrystal of two Mo^VI^ complexes bearing different diastereomers of the 2,4-di-<i>tert</i>-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolate ligand derived from (+)-ephedrine","Acta Crystallographica Section C","2013","69","5","509","512","10.1107/S0108270113010652","","","0.71073","MoKα","","0.042","0.0373","","","0.082","0.0845","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018974","8.6511","0.0007","33.613","0.003","11.9147","0.0009","90","","92.723","0.002","90","","3460.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate","","- C32 H37 Cl2 N4 O10 Rh -","- C32 H37 Cl2 N4 O10 Rh -","- C128 H148 Cl8 N16 O40 Rh4 -","4","1","MX3092","Sivanesan, Dharmalingam; Kim, Hyung Min; Sungho, Yoon","Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate","Acta Crystallographica Section C","2013","69","6","584","587","10.1107/S0108270113009633","","","0.71073","MoKα","","0.1048","0.0503","","","0.0734","0.0892","","","","","","0.849","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018975","23.722","0.015","5.72","0.004","16.868","0.011","90","","98.404","0.01","90","","2264","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","3-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C12 H11 Cl N2 -","- C12 H11 Cl N2 -","- C96 H88 Cl8 N16 -","8","1","MX3093","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section C","2013","69","5","522","525","10.1107/S0108270113007889","","","0.71073","MoKα","","0.0597","0.0419","","","0.1082","0.1195","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018976","13.323","0.003","9.802","0.002","9.107","0.002","90","","109.212","0.004","90","","1123.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","4-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C12 H11 Cl N2 -","- C12 H11 Cl N2 -","- C48 H44 Cl4 N8 -","4","1","MX3093","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section C","2013","69","5","522","525","10.1107/S0108270113007889","","","0.71073","MoKα","","0.0642","0.0472","","","0.1088","0.1189","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018977","15.9611","0.001","19.1464","0.0012","10.162","0.0006","90","","91.335","0.001","90","","3104.6","0.3","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin","","- C72 H86 N4 O4 -","- C72 H86 N4 O4 -","- C144 H172 N8 O8 -","2","0.5","MX3095","Zhao, Hong-Bin; Chen, Liang; Wang, Bang-Ying; Liao, Jun-Xu; Xu, Yong-Jun","<i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin","Acta Crystallographica Section C","2013","69","6","651","653","10.1107/S0108270113011232","","","0.71073","MoKα","","0.0707","0.0489","","","0.1107","0.1225","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018978","12.2905","0.0014","12.2905","0.0014","16.133","0.004","90","","90","","90","","2437","0.7","291","2","291","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","","- C37 H52 Cl4 N8 O8 Zn2 -","- C37 H52 Cl4 N8 O8 Zn2 -","- C74 H104 Cl8 N16 O16 Zn4 -","2","0.25","MX3099","Wang, Ya-Qin; Xie, Fa-Zhi; Du, Lin","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","Acta Crystallographica Section C","2013","69","6","577","580","10.1107/S0108270113010937","","","0.71073","MoKα","","0.046","0.0311","","","0.0825","0.0863","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018979","16.282","0.003","17.74","0.003","11.608","0.002","90","","90","","90","","3352.9","1","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>rac</i>-Bis{μ-<i>trans</i>-2,2'-[pentane-1,5-diylbis(azanediyl)]ditroponato}dipalladium(II)","","- C38 H40 N4 O4 Pd2 -","- C38 H40 N4 O4 Pd2 -","- C152 H160 N16 O16 Pd8 -","4","0.5","OV3021","Komiya, Naruyoshi; Kageyama, Takeharu; Naito, Masaya; Naota, Takeshi","A clothes-peg-shaped binuclear <i>trans</i>-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers","Acta Crystallographica Section C","2013","69","5","503","505","10.1107/S0108270113004484","","","0.71075","MoKα","","","0.0214","","","","0.0555","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018980","6.9527","0.0011","6.5631","0.001","10.4284","0.0019","90","","97.094","0.014","90","","472.22","0.14","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>L</i>-Serinium semi-maleate","<i>L</i>-Serinium semi-maleate","","- C7 H11 N O7 -","- C7 H11 N O7 -","- C14 H22 N2 O14 -","2","1","OV3025","Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.","Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry","Acta Crystallographica Section C","2013","69","5","517","521","10.1107/S0108270113006720","","","0.71073","MoKα","","0.0603","0.039","","","0.0646","0.0699","","","","","","0.932","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018981","5.9406","0.0003","8.9527","0.0004","9.3796","0.0003","79.239","0.003","75.528","0.003","86.771","0.004","474.5","0.04","297","2","297","2","","","","","","","","4","P -1","-P 1","2","<i>DL</i>-Serinium semi-maleate","<i>DL</i>-Serinium semi-maleate","","- C7 H11 N O7 -","- C7 H11 N O7 -","- C14 H22 N2 O14 -","2","1","OV3025","Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.","Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry","Acta Crystallographica Section C","2013","69","5","517","521","10.1107/S0108270113006720","","","0.71073","MoKα","","0.0549","0.0435","","","0.1079","0.1153","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018982","10.342","0.008","10.408","0.008","15.633","0.012","72.226","0.011","82.736","0.012","60.549","0.009","1394.8","1.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-methyl-{5-[5-methyl-2-(pyridin-3-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-3-carboxylate)bis(perchlorato)copper(II)","","- C56 H40 Cl2 Cu N8 O18 -","- C56 H40 Cl2 Cu N8 O18 -","- C56 H40 Cl2 Cu N8 O18 -","1","0.5","OV3026","Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin","The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts","Acta Crystallographica Section C","2013","69","6","601","605","10.1107/S0108270113010913","","","0.71073","MoKα","","0.0871","0.0586","","","0.138","0.1547","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018983","9.26","0.002","12.597","0.003","15.623","0.004","96.709","0.004","102.843","0.004","108.464","0.004","1650.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diacetonitriledi-μ~3~-iodido-di-μ~2~-iodido-bis(4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-4-carboxylate)tetracopper(I)","","- C60 H46 Cu4 I4 N10 O10 -","- C60 H46 Cu4 I4 N10 O10 -","- C60 H46 Cu4 I4 N10 O10 -","1","0.5","OV3026","Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin","The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts","Acta Crystallographica Section C","2013","69","6","601","605","10.1107/S0108270113010913","","","0.71073","MoKα","","0.067","0.0453","","","0.0943","0.1038","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018984","12.432","0.004","7.587","0.003","12.507","0.004","90","","90","","90","","1179.7","0.7","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentacadmium tetraarsenide","Dirubidium pentacadmium tetraarsenide","","- As4 Cd5 Rb2 -","- As4 Cd5 Rb2 -","- As16 Cd20 Rb8 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0318","0.0214","","","0.0406","0.0431","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018985","12.3975","0.0011","7.5516","0.0007","12.4514","0.0011","90","","90","","90","","1165.71","0.18","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentazinc tetraantimonide","Dirubidium pentazinc tetraantimonide","","- Rb2 Sb4 Zn5 -","- Rb2 Sb4 Zn5 -","- Rb8 Sb16 Zn20 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.021","0.0182","","","0.0375","0.0387","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018986","12.6086","0.0011","7.6761","0.0006","12.6232","0.0011","90","","90","","90","","1221.73","0.18","200","2","200","2","","","","","","","","4","C m c m","-C 2c 2","63","","Dirubidium pentacadmium tetra(arsenide/antimonide)","","- As3 Cd5 Rb2 Sb -","- As3.004 Cd5 Rb2 Sb0.996 -","- As12.016 Cd20 Rb8 Sb3.984 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0148","0.0132","","","0.026","0.0264","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018987","18.6202","0.0012","11.7427","0.0007","14.9474","0.0009","90","","98.999","0.002","90","","3228","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methylamino-5-nitro-2,4-diphenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0466","0.0371","","","0.0948","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018988","7.6736","0.0014","8.6808","0.0015","13.152","0.002","81.498","0.011","75.721","0.011","79.851","0.011","830.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(3-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H14 F N3 O3 -","- C19 H14 F N3 O3 -","- C38 H28 F2 N6 O6 -","2","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0517","0.04","","","0.1233","0.1362","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018989","9.4556","0.0002","9.9562","0.0002","11.1806","0.0003","95.81","0.001","111.785","0.001","109.362","0.001","891.39","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Chlorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H14 Cl N3 O3 -","- C19 H14 Cl N3 O3 -","- C38 H28 Cl2 N6 O6 -","2","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0563","0.045","","","0.1208","0.1299","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018990","4.916","0.002","8.998","0.003","21.604","0.006","90","","94.445","0.007","90","","952.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,6a,7,10,10a-Fexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","SF3191","Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J.","A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides","Acta Crystallographica Section C","2013","69","6","638","641","10.1107/S0108270113010706","","","0.71069","MoKα","","0.0398","0.0372","","","0.098","0.0996","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018991","17.84","0.002","6.8747","0.0006","16.2125","0.0017","90","","102.419","0.005","90","","1941.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","2","SF3191","Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J.","A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides","Acta Crystallographica Section C","2013","69","6","638","641","10.1107/S0108270113010706","","","0.71075","MoKα","","0.0606","0.0456","","","0.1132","0.1246","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018992","5.218","0.0013","20.188","0.005","10.503","0.003","90","","101.139","0.003","90","","1085.6","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[μ~4~-5-carboxy-4-carboxylato-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-ido]disilver(I)]","","- C10 H5 Ag2 N3 O4 -","- C10 H5 Ag2 N3 O4 -","- C40 H20 Ag8 N12 O16 -","4","1","SF3194","Deng, Zhi-He; Peng, Zhen-Jian; Huang, Jun","A new three-dimensional silver(I) coordination framework with a diamondoid topology constructed from 2-(pyridin-4-yl)-1<i>H</i>-imidazole-4,5-dicarboxylic acid","Acta Crystallographica Section C","2013","69","5","467","470","10.1107/S0108270113006768","","","0.71073","MoKα","","0.0396","0.0381","","","0.0952","0.0969","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018993","9.196","0.005","10.491","0.005","11.186","0.005","102.407","0.005","98.185","0.005","105.697","0.005","991.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)","","- C12 H12 Cl4 N10 Zn -","- C12 H12 Cl4 N10 Zn -","- C24 H24 Cl8 N20 Zn2 -","2","1","SF3195","Paciorek, Patrycja; Szklarzewicz, Janusz; Nitek, Wojciech","A simple and safe method for the preparation of bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)","Acta Crystallographica Section C","2013","69","5","513","516","10.1107/S0108270113010809","","","0.71069","MoKα","","0.0431","0.029","","","","0.0699","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018994","6.7538","0.0014","22.852","0.005","8.959","0.0018","90","","90","","90","","1382.7","0.5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","","- C10 H16 Cd Cl3 N -","- C10 H16 Cd Cl3 N -","- C40 H64 Cd4 Cl12 N4 -","4","1","SK3472","Wu, De-Hong; Jin, Lei","A one-dimensional <i>ABX</i>~3~-type coordination polymer: <i>catena</i>-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","Acta Crystallographica Section C","2013","69","5","491","493","10.1107/S010827011300930X","","","0.71073","MoKα","","0.0327","0.0266","","","0.0543","0.056","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018995","16.133","0.002","16.133","0.002","11.684","0.004","90","","90","","120","","2633.6","1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","<i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","","- C15 H21 Na Ni O6 -","- C15 H21 Na Ni O6 -","- C90 H126 Na6 Ni6 O36 -","6","0.166667","SK3482","Baldo, Bianca; Cruz, Carlos; Venegas-Yazigi, Diego; Vega, Andres; Paredes-García, Verónica","<i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","Acta Crystallographica Section C","2013","69","5","506","508","10.1107/S0108270113009797","","","0.71073","MoKα","","0.0312","0.0262","","","0.067","0.0702","","","","","","1.142","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018996","7.4961","0.0003","7.6923","0.0003","10.8821","0.0007","73.421","0.005","84.844","0.006","88.53","0.006","598.97","0.05","120","2","120","","","","","","","","","4","P -1","-P 1","2","Benzaldehyde methyl(pyrazin-2-ylcarbonyl)hydrazone","<i>N</i>'-Benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazide","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C26 H24 N8 O2 -","2","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.042","0.0355","","","0.111","0.1187","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018997","4.032","0.005","10.628","0.015","15.034","0.019","94.08","0.03","90.36","0.03","92.07","0.03","642.2","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(2-Methoxybenzylidene)-<i>N</i>-methylpyrazine-2-carbohydrazide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0668","0.0548","","","0.1466","0.1588","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018998","19.395","0.003","3.9517","0.0005","23.27","0.003","90","","124.89","0.009","90","","1462.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(4-Cyanobenzylidene)-<i>N</i>-methylpyrazine-2-carbohydrazide dihydrate","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0908","0.0629","","","0.1872","0.2479","","","","","","1.227","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018999","17.51","0.002","10.5421","0.0011","14.9638","0.0014","90","","107.887","0.008","90","","2628.7","0.5","120","2","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Methyl-<i>N</i>'-(4-nitrobenzylidene)pyrazine-2-carbohydrazide","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C104 H88 N40 O24 -","8","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0696","0.0604","","","0.1592","0.1685","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019000","3.7974","0.0002","33.3126","0.0017","10.0959","0.0005","90","","99.027","0.002","90","","1261.33","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Methyl-<i>N</i>'-(2-nitrobenzylidene)pyrazine-2-carbohydrazide","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C52 H44 N20 O12 -","4","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71073","MoKα","","0.112","0.0802","","","0.1756","0.1959","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019001","11.5883","0.0003","10.3101","0.0002","15.5888","0.0004","90","","94.891","0.003","90","","1855.71","0.08","112","2","112","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl]","","- C18 H31 K O -","- C18 H31 K O -","- C72 H124 K4 O4 -","4","1","SK3485","Seidel, Rüdiger W.; Ganesamoorthy, Chelladurai; Loerke, Sinah; Winter, Manuela V.; Gemel, Christian; Fischer, Roland A.","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl]","Acta Crystallographica Section C","2013","69","6","573","576","10.1107/S0108270113011074","","","1.54184","CuKα","","0.0524","0.0436","","","0.114","0.1214","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019002","7.9681","0.0006","9.8543","0.0006","11.1812","0.0008","74.974","0.006","72.481","0.006","76.59","0.006","797.24","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate","","- C12 H16 Br2 Cu N2 O3 -","- C12 H16 Br2 Cu N2 O3 -","- C24 H32 Br4 Cu2 N4 O6 -","2","1","SK3487","Lah, Nina; Lapanje, Katja","Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate","Acta Crystallographica Section C","2013","69","6","624","626","10.1107/S0108270113013437","","","0.71073","MoKα","","0.0526","0.0413","","","0.0853","0.092","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019003","8.2432","0.0012","13.327","0.003","11.6819","0.0019","90","","99.743","0.011","90","","1264.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile","","- C16 H9 F N2 S -","- C16 H9 F N2 S -","- C64 H36 F4 N8 S4 -","4","1","SK3489","Trilleras, Jorge; Velásquez, Kelly; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile: a chain of π-stacked hydrogen-bonded rings","Acta Crystallographica Section C","2013","69","6","671","673","10.1107/S0108270113013267","","","0.71073","MoKα","","0.0901","0.0489","","","0.1092","0.1304","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019004","9.2089","0.001","17.9875","0.0017","23.697","0.002","90","","90","","90","","3925.3","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","2","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0712","0.0567","","","0.1281","0.1445","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019005","9.2606","0.0008","9.2606","0.0008","44.847","0.004","90","","90","","90","","3846","0.6","100","","100","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","1","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0392","0.0391","","","0.1066","0.1067","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019006","5","0.0002","17.1211","0.0006","6.4421","0.0003","90","","105.864","0.004","90","","530.48","0.04","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Ethoxyquinoline N-oxide dihydrate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","TP3021","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Kennedy, Alan R.; Morrison, Catriona A.","Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline <i>N</i>-oxide dihydrate","Acta Crystallographica Section C","2013","69","6","665","670","10.1107/S0108270113011979","","","0.71073","MoKα","","0.0406","0.035","","","0.0757","0.0793","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019007","13.4857","0.0004","5.0971","0.0001","11.5521","0.0003","90","","111.018","0.003","90","","741.24","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diyl bis(4-oxopentanoate)","","- C14 H22 O6 -","- C14 H22 O6 -","- C28 H44 O12 -","2","0.5","UK3066","Gainsford, Graeme J.; Hinkley, Simon","Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)","Acta Crystallographica Section C","2013","69","6","654","657","10.1107/S0108270113011980","","","1.54178","CuKα","","0.0406","0.0351","","","0.0883","0.0938","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019008","14.9937","0.0007","5.0837","0.0002","11.4485","0.0005","90","","108.11","0.005","90","","829.41","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexane-1,6-diyl bis(4-oxopentanoate)","","- C16 H26 O6 -","- C16 H26 O6 -","- C32 H52 O12 -","2","0.5","UK3066","Gainsford, Graeme J.; Hinkley, Simon","Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)","Acta Crystallographica Section C","2013","69","6","654","657","10.1107/S0108270113011980","","","1.54178","CuKα","","0.0808","0.0562","","","0.1428","0.1593","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019009","10.5129","0.0013","10.5849","0.0013","12.7572","0.0016","83.6258","0.0014","87.7599","0.0011","60.5657","0.0014","1228.5","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","Hexadecacarbonylbis{μ~3~-[(diphenylphosphanyl)methanediidyl]sulfanido}-μ~4~-disulfido(2-)-hexairon(4 <i>Fe</i>—<i>Fe</i>)","","- C42 H20 Fe6 O16 P2 S4 -","- C42 H20 Fe6 O16 P2 S4 -","- C42 H20 Fe6 O16 P2 S4 -","1","0.5","WQ3029","Shi, Yao-Cheng; Cheng, Huan-Ren; Cheng, Da-Cong","A novel hexairon cluster with one disulfide and two Ph~2~PCS^3{-^} ligands","Acta Crystallographica Section C","2013","69","6","581","583","10.1107/S0108270113009049","","","0.71073","MoKα","","0.0382","0.0268","","","0.0644","0.0708","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019010","8.3467","0.001","10.453","0.001","16.7393","0.0018","90","","96.689","0.009","90","","1450.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-di-<i>tert</i>-butyl(hydroxy)silanolato]bis[chloridoindium(III)]","","- C16 H38 Cl4 In2 O4 Si2 -","- C16 H38 Cl4 In2 O4 Si2 -","- C32 H76 Cl8 In4 O8 Si4 -","2","0.5","WQ3030","Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram","An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]","Acta Crystallographica Section C","2013","69","6","569","572","10.1107/S0108270113009311","","","0.71073","MoKα","","0.0749","0.0559","","","0.1312","0.14","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019011","10.5661","0.0007","11.7334","0.001","18.1342","0.0012","90","","93.153","0.005","90","","2244.8","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Tetrakis(tetrahydrofuran)lithium tetrakis[(trimethylsilyl)methyl]borate","","- C32 H76 B Li O4 Si4 -","- C32 H76 B Li O4 Si4 -","- C64 H152 B2 Li2 O8 Si8 -","2","1","WQ3030","Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram","An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]","Acta Crystallographica Section C","2013","69","6","569","572","10.1107/S0108270113009311","","","0.71073","MoKα","","0.1299","0.0706","","","0.1163","0.1354","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019012","16.735","0.004","6.4066","0.0017","24.197","0.006","90","0.001","93.0512","0.0011","90","0.001","2590.6","1.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5,8,11-Tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-<i>a</i>:3',2'-<i>c</i>:2'',3''-<i>f</i>:3''',2'''-<i>h</i>]naphthalene","","- C58 H64 S8 -","- C58.048 H64 S8 -","- C116.096 H128 S16 -","2","0.5","WQ3031","Gao, Libin","Synthesis and photophysical properties of 2,5,8,11-tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-<i>a</i>:3',2'-<i>c</i>:2'',3''-<i>f</i>:3''',2'''-<i>h</i>]naphthalene","Acta Crystallographica Section C","2013","69","6","634","637","10.1107/S0108270113010895","","","0.7107","MoKα","","0.098","0.0766","","","0.1701","0.1838","","","","","","1.126","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019013","7.7131","0.0011","9.26","0.0013","10.2716","0.0015","113.988","0.002","91.893","0.003","94.895","0.002","665.97","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]","","- C18 H28 Co N14 O2 S2 -","- C18 H28 Co N14 O2 S2 -","- C18 H28 Co N14 O2 S2 -","1","0.5","WQ3033","Tao, Jian-Qing; Mao, Dan; Wang, Jun","Magnetic investigations of a two-dimensional coordination polymer with a three-dimensional supramolecular framework: poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]","Acta Crystallographica Section C","2013","69","6","597","600","10.1107/S0108270113011153","","","0.71073","MoKα","","0.0505","0.0482","","","0.1211","0.1232","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019014","8.7426","0.0011","14.3464","0.0019","7.2686","0.001","90","","110.808","0.002","90","","852.2","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[diaquatetra-μ~2~-chlorido-[μ~2~-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)]","","- C8 H18 Cd2 Cl4 N2 O6 -","- C8 H18 Cd2 Cl4 N2 O6 -","- C16 H36 Cd4 Cl8 N4 O12 -","2","0.5","WQ3034","Xu, Xiao-Juan; Miao, Jian-Yun; Wang, Jun","A novel two-dimensional coordination polymer: poly[diaquatetra-μ~2~-chlorido-[μ~2~-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)]","Acta Crystallographica Section C","2013","69","6","620","623","10.1107/S0108270113013000","","","0.71073","MoKα","","0.0326","0.0309","","","0.0806","0.082","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019015","13.5649","0.0013","11.8142","0.0011","8.1678","0.0012","90","","99.281","0.01","90","","1291.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","YF3029","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","Acta Crystallographica Section C","2013","69","5","544","548","10.1107/S0108270113009098","","","0.71073","MoKα","","0.07","0.0426","","","0.0994","0.1161","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019016","26.59","0.003","6.289","0.0009","17.2655","0.0019","90","","104.017","0.011","90","","2801.2","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>RS</i>)-4-(1,3-Benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","YF3029","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","Acta Crystallographica Section C","2013","69","5","544","548","10.1107/S0108270113009098","","","0.71073","MoKα","","0.0785","0.0486","","","0.0999","0.1137","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019017","10.9287","0.0008","9.5775","0.0007","16.0272","0.0012","90","","91.051","0.005","90","","1677.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tribenzylphosphane","","- C21 H21 P -","- C21 H21 P -","- C84 H84 P4 -","4","1","YF3030","Levason, William; Pugh, David; Reid, Gillian","Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","Acta Crystallographica Section C","2013","69","5","560","564","10.1107/S0108270113010226","","","0.71073","MoKα","","0.0932","0.0492","","","0.0932","0.1089","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019018","13.941","0.005","13.941","0.005","15.693","0.007","90","","90","","120","","2641.3","1.8","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","Tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","","- C42 H44 Cl2 P2 -","- C42 H44 Cl2 P2 -","- C126 H132 Cl6 P6 -","3","0.333333","YF3030","Levason, William; Pugh, David; Reid, Gillian","Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","Acta Crystallographica Section C","2013","69","5","560","564","10.1107/S0108270113010226","","","0.71073","MoKα","","0.0483","0.0419","","","0.0958","0.0993","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019019","11.838","0.001","12.1071","0.0011","17.8029","0.0018","74.134","0.002","71.044","0.001","71.872","0.001","2250.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tris[1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium)] bis[tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)]","","- C30 H48 Mo24 N12 O80 P2 -","- C30 H48 Mo24 N12 O80 P2 -","- C30 H48 Mo24 N12 O80 P2 -","1","0.5","YF3031","Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen","Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation","Acta Crystallographica Section C","2013","69","6","588","593","10.1107/S0108270113011554","","","0.71073","MoKα","","0.0616","0.0387","","","0.0858","0.1027","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019020","11.235","0.0012","11.7211","0.0013","11.8459","0.0013","102.194","0.001","98.184","0.001","115.998","0.002","1320.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) 1-[4-(1<i>H</i>-imidazol-1-yl)butyl]-1<i>H</i>-imidazol-3-ium tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI) dihydrate","","- C20 H34 Mo12 N8 O42 P -","- C20 H34 Mo12 N8 O42 P -","- C20 H34 Mo12 N8 O42 P -","1","0.5","YF3031","Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen","Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation","Acta Crystallographica Section C","2013","69","6","588","593","10.1107/S0108270113011554","","","0.71073","MoKα","","0.0711","0.0503","","","0.1069","0.1226","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019021","7.437","0.003","15.164","0.007","11.278","0.005","90","","90","","90","","1271.9","1","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(dimethylformamide-κ<i>O</i>)(μ~4~-5-methoxyisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)manganese(II)]","","- C12 H13 Mn N O6 -","- C12 H13 Mn N O6 -","- C48 H52 Mn4 N4 O24 -","4","1","YP3025","Huang, Xiao-Hui","A three-dimensional manganese(II) metal‒organic framework based on 5-methoxybenzene-1,3-dicarboxylic acid and exhibiting a pts net","Acta Crystallographica Section C","2013","69","5","483","485","10.1107/S0108270113008512","","","0.71073","MoKα","","0.0266","0.0235","","","0.046","0.0472","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019022","7.063","0.0002","10.3833","0.0005","14.8591","0.0007","90","","90","","90","","1089.73","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cysteamine tartrate(1-) monohydrate","","- C6 H15 N O7 S -","- C6 H15 N O7 S -","- C24 H60 N4 O28 S4 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.051","0.0387","","","","0.0932","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019023","5.7281","0.0003","9.3699","0.0005","24.677","0.0014","90","","90","","90","","1324.46","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine tartrate(2-)","","- C8 H18 N2 O6 S2 -","- C8 H18 N2 O6 S2 -","- C32 H72 N8 O24 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.0879","0.0601","","","","0.1393","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019024","7.3425","0.0005","10.5227","0.0008","26.983","0.002","90","","90","","90","","2084.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine bis[tartrate(1-)] dihydrate","","- C12 H28 N2 O14 S2 -","- C12 H28 N2 O14 S2 -","- C48 H112 N8 O56 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.1259","0.0782","","","","0.1517","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019025","6.6159","0.0003","14.5242","0.0007","14.5449","0.0007","87.035","0.004","81.713","0.004","76.947","0.004","1347.03","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate","","- C18 H30 Cd Cl4 N2 O6 P2 -","- C18 H30 Cd Cl4 N2 O6 P2 -","- C36 H60 Cd2 Cl8 N4 O12 P4 -","2","1","EG3124","Du, Chao-Jun; Wang, Li-Sheng","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue","Acta Crystallographica Section C","2013","69","7","738","741","10.1107/S0108270113015436","","","0.71073","MoKα","","0.0455","0.0318","","","0.0653","0.069","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019026","6.6448","0.0004","14.4213","0.0014","14.4804","0.0016","87.523","0.008","80.727","0.007","76.99","0.007","1334.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocobaltate(II) dihydrate","","- C18 H30 Cl4 Co N2 O6 P2 -","- C18 H30 Cl4 Co N2 O6 P2 -","- C36 H60 Cl8 Co2 N4 O12 P4 -","2","1","EG3124","Du, Chao-Jun; Wang, Li-Sheng","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue","Acta Crystallographica Section C","2013","69","7","738","741","10.1107/S0108270113015436","","","0.71073","MoKα","","0.1195","0.0689","","","0.1372","0.1566","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019027","11.0959","0.0008","7.4038","0.0005","17.1944","0.0013","90","","92.115","0.001","90","","1411.59","0.18","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1,3,3-tetramethylguanidine <i>p</i>-toluenesulfinate","1,1,3,3-Tetramethylguanidinium 4-methylbenzenesulfinate","","- C12 H21 N3 O2 S -","- C12 H21 N3 O2 S -","- C48 H84 N12 O8 S4 -","4","1","EG3125","Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore","A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate","Acta Crystallographica Section C","2013","69","7","778","780","10.1107/S0108270113015011","","","0.71073","MoKα","","0.0345","0.0302","","","0.0812","0.0851","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019028","11.185","0.003","7.648","0.002","17.415","0.005","90","","93.169","0.004","90","","1487.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1,3,3-tetramethylguanidine <i>p</i>-toluenesulfonate","1,1,3,3-Tetramethylguanidinium 4-methylbenzenesulfonate","","- C12 H21 N3 O2.82 S -","- C12 H21 N3 O2.816 S -","- C48 H84 N12 O11.264 S4 -","4","1","EG3125","Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore","A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate","Acta Crystallographica Section C","2013","69","7","778","780","10.1107/S0108270113015011","","","0.71073","MoKα","","0.1195","0.0628","","","0.1305","0.1546","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019029","7.1093","0.0003","8.1905","0.0004","11.6494","0.0006","110.117","0.005","93.566","0.004","104.589","0.004","608.09","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate","","- C9 H13 N5 O6 -","- C9 H13 N5 O6 -","- C18 H26 N10 O12 -","2","1","FA3317","Novaković, Sladjana B.; Bogdanović, Goran A.; Leovac, Vukadin M.; Rodić, Marko V.; Vojinović-Ješić, Ljiljana S.; Ivković, Sonja","(<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate","Acta Crystallographica Section C","2013","69","7","761","764","10.1107/S0108270113013929","","","1.5418","CuKα","","0.0435","0.0422","","","0.121","0.1227","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019030","7.4412","0.0001","10.0576","0.0001","23.0738","0.0003","93.1684","0.0012","95.7542","0.0015","97.1347","0.001","1700.84","0.04","90","","90","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00123","synchrotron","","0.03","","","","","","","","2.56","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019031","7.5426","0.0001","10.1265","0.0001","23.282","0.0003","92.5207","0.0012","95.7302","0.0014","97.0177","0.0011","1753.3","0.04","300","","300","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00123","synchrotron","","0.034","","","","","","","","1.44","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019032","7.756","0.0002","9.9761","0.0003","24.4467","0.0008","90.764","0.001","101.61","0.001","95.104","0.001","1844.56","0.1","500","","500","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00164","synchrotron","","0.031","","","","","","","","1.44","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019033","7.782","0.004","10.802","0.005","9.512","0.005","90","","104.885","0.009","90","","772.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","uranyl valerate","Diaquadioxidobis(<i>n</i>-valerato-κ^2^<i>O</i>,<i>O</i>')uranium(VI)","","- C10 H22 O8 U -","- C10 H22 O8 U -","- C20 H44 O16 U2 -","2","0.25","FA3320","Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","The first uranyl complexes with valerate ions","Acta Crystallographica Section C","2013","69","7","721","726","10.1107/S0108270113014832","","","0.71073","MoKα","","0.0251","0.0251","","","0.0588","0.0588","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019034","17.294","0.003","23.405","0.004","20.862","0.003","90","","90","","90","","8444","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","potassium uranyl valerate","Potassium dioxidotris(<i>n</i>-valerato-κ^2^<i>O</i>,<i>O</i>')uranium(VI)","","- C15 H27 K O8 U -","- C15 H27 K O8 U -","- C240 H432 K16 O128 U16 -","16","2","FA3320","Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","The first uranyl complexes with valerate ions","Acta Crystallographica Section C","2013","69","7","721","726","10.1107/S0108270113014832","","","0.71073","MoKα","","0.0851","0.0655","","","0.1833","0.1933","","","","","","1.253","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019035","24.906","0.004","18.144","0.002","8.328","0.002","90","","90","","90","","3763.4","1.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","","- C13.6 H24.4 Cl2 N0.8 Pd S3 -","- C13.588 H24.382 Cl2 N0.794 Pd S3 -","- C108.704 H195.056 Cl16 N6.352 Pd8 S24 -","8","1","FN3138","Dawe, Louise Nicole; Penney, Lisa; Black, Daniel A.; Miller, David O.; Lucas, C. Robert","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","Acta Crystallographica Section C","2013","69","7","727","729","10.1107/S0108270113015060","","","0.71069","MoKα","","0.0992","0.0376","","","0.0926","0.1093","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019036","20.7076","0.0007","10.7885","0.0003","17.5044","0.0005","90","","108.187","0.003","90","","3715.2","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate","","- C30 H38 Cd N6 O8 S4 -","- C30 H38 Cd N6 O8 S4 -","- C120 H152 Cd4 N24 O32 S16 -","4","0.5","FN3139","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue","Acta Crystallographica Section C","2013","69","7","745","749","10.1107/S0108270113016521","","","0.71073","MoKα","","0.0494","0.029","","","0.0611","0.0648","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019037","20.8508","0.0012","10.8334","0.0008","16.9888","0.001","90","","107.956","0.007","90","","3650.6","0.4","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate","","- C30 H38 N6 O8 S4 Zn -","- C30 H38 N6 O8 S4 Zn -","- C120 H152 N24 O32 S16 Zn4 -","4","0.5","FN3139","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue","Acta Crystallographica Section C","2013","69","7","745","749","10.1107/S0108270113016521","","","0.71073","MoKα","","0.1018","0.0515","","","0.0872","0.1038","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019038","13.5365","0.0007","13.5365","0.0007","13.5365","0.0007","90","","90","","90","","2480.4","0.2","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dithulium hexacobalt icosastannide","","- Co6 Sn20 Tm2.22 -","- Co6 Sn20 Tm2.216 -","- Co24 Sn80 Tm8.864 -","4","0.0208333","KU3095","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type","Acta Crystallographica Section C","2013","69","7","683","688","10.1107/S0108270113014492","","","0.71073","MoKα","","0.0356","0.0295","","","0.077","0.0813","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019039","13.5371","0.0016","13.5371","0.0016","13.5371","0.0016","90","","90","","90","","2480.7","0.5","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Thulium dilithium hexacobalt icosastannide","","- Co6 Li2 Sn20 Tm -","- Co6 Li2 Sn20 Tm -","- Co24 Li8 Sn80 Tm4 -","4","0.0208333","KU3095","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type","Acta Crystallographica Section C","2013","69","7","683","688","10.1107/S0108270113014492","","","0.71073","MoKα","","0.0326","0.0282","","","0.0584","0.0602","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019040","18.1669","0.0016","7.2059","0.0006","26.435","0.002","90","","90","","90","","3460.6","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Aqua-octaaquabis(μ-2-thiobarbiturato-κ^2^<i>O</i>:<i>O</i>')bis(2-thiobarbiturato-κ<i>O</i>)tetralithium(I) dihydrate","","- C16 H34 Li4 N8 O19 S4 -","- C16 H34 Li4 N8 O19 S4 -","- C64 H136 Li16 N32 O76 S16 -","4","1","KU3096","Golovnev, Nikolay; Molokeev, Maxim","Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^","Acta Crystallographica Section C","2013","69","7","704","708","10.1107/S0108270113014078","","","0.71073","MoKα","","0.0664","0.0529","","","0.1356","0.1462","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019041","7.4043","0.0011","10.6987","0.0016","11.4837","0.0017","101.175","0.002","106.932","0.002","92.527","0.002","848.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[μ~2~-aqua-tetraaqua(μ~4~-2-thiobarbiturato-κ^4^<i>O</i>:<i>O</i>:<i>S</i>:<i>S</i>)(μ~2~-thiobarbiturato-κ^2^<i>O</i>:<i>S</i>)disodium(I)]","","- C8 H16 N4 Na2 O9 S2 -","- C8 H14 N4 Na2 O9 S2 -","- C16 H28 N8 Na4 O18 S4 -","2","1","KU3096","Golovnev, Nikolay; Molokeev, Maxim","Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^","Acta Crystallographica Section C","2013","69","7","704","708","10.1107/S0108270113014078","","","0.71073","MoKα","","0.0747","0.0443","","","0.1036","0.1193","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019042","7.8239","0.0017","11.033","0.002","21.677","0.004","90","","98.125","0.004","90","","1852.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetranitratobis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}zinc(II)","","- C28 H24 N12 O14 S2 Zn2 -","- C28 H24 N12 O14 S2 Zn2 -","- C56 H48 N24 O28 S4 Zn4 -","2","0.5","KY3029","Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2013","69","7","716","720","10.1107/S0108270113012134","","","0.71073","MoKα","","0.0793","0.0525","","","0.1014","0.1122","","","","","","1.036","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019043","12.012","0.006","13.225","0.007","14.402","0.007","99.751","0.007","110.223","0.007","106.204","0.007","1969.8","1.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[dinitratocopper(II)]-bis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}] nitrate acetonitrile sesquisolvate dichloromethane sesquisolvate]","","- C32.5 H31.5 Cl3 Cu N11.5 O8 S2 -","- C32.5 H31.5 Cl3 Cu N11.5 O8 S2 -","- C65 H63 Cl6 Cu2 N23 O16 S4 -","2","1","KY3029","Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2013","69","7","716","720","10.1107/S0108270113012134","","","0.71073","MoKα","","0.0665","0.0515","","","0.1428","0.1697","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019044","7.7326","0.0009","10.9427","0.001","12.6997","0.0013","90","","101.948","0.011","90","","1051.31","0.19","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","LG3110","Paz, Cristian; Moreno, Yanko; Becerra, José; Silva, Mario; Burgos, Viviana; Freire, Eleonora; Baggio, Ricardo","(<i>E</i>)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: a natural polymorph extracted from <i>Aristotelia chilensis</i> (Maqui)","Acta Crystallographica Section C","2013","69","7","765","769","10.1107/S0108270113013991","","","0.71073","MoKα","","0.0688","0.0441","","","0.103","0.119","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019045","6.2088","0.0004","6.4128","0.0006","18.7953","0.001","88.989","0.002","87.64","0.002","61.736","0.002","658.57","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","<i>N</i>,<i>N</i>'-Bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride","2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-7,10-diaza-3,14-disilahexadecane-7,10-diium dichloride","","- C18 H46 Cl2 N2 O2 Si2 -","- C18 H46 Cl2 N2 O2 Si2 -","- C18 H46 Cl2 N2 O2 Si2 -","1","0.5","LG3111","Wen, Mei-Feng; Lin, Bi-Ting; He, Chang-Shuai; Wu, Jian-Zhong","Hydrogen-bonding network of <i>N</i>,<i>N</i>'-bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride","Acta Crystallographica Section C","2013","69","7","787","789","10.1107/S0108270113015084","","","0.71073","MoKα","","0.046","0.0412","","","0.111","0.1147","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019046","20.787","0.004","24.404","0.005","29.456","0.006","83.68","0.03","89.65","0.03","67.11","0.03","13671","6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol‒4,4'-bipyridyl (4/1)","","- C82 H72 N2 O4 Si4 -","- C82 H72 N2 O4 Si4 -","- C656 H576 N16 O32 Si32 -","8","4","LG3115","Cascarano, Giovanni L.; Ferguson, George; Giacovazzo, Carmelo; Glidewell, Christopher; Spek, Anthony L.","Triphenylsilanol‒4,4'-bipyridyl (4/1): the <i>Z</i>' = 4 polymorph revisited","Acta Crystallographica Section C","2013","69","7","774","777","10.1107/S0108270113014601","","","0.71073","MoKα","","0.2045","0.0632","","","0.1349","0.1876","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019047","10.1474","0.0001","12.8562","0.0001","14.5494","0.0001","90","","92.92","","90","","1895.61","0.03","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olanzapine acetic acid monosolvate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine acetic acid monosolvate","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C76 H96 N16 O8 S4 -","4","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","1.54178","CuKα","","0.0332","0.0326","","","0.0932","0.0936","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019048","24.5414","0.0004","12.5088","0.0003","15.3096","0.0004","90","","125.314","0.001","90","","3835.01","0.16","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Olanzapine propan-2-ol hemisolvate monohydrate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-2-ol hemisolvate monohydrate","","- C18.5 H26 N4 O1.5 S -","- C18.5 H26 N4 O1.5 S -","- C148 H208 N32 O12 S8 -","8","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","1.54178","CuKα","","0.035","0.0348","","","0.0996","0.0998","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019049","24.5759","0.0014","12.5608","0.0005","15.1607","0.0009","90","","125.79","0.009","90","","3796.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Olanzapine propan-2-one hemisolvate monohydrate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-2-one hemisolvate monohydrate","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","0.71073","MoKα","","0.0806","0.0373","","","0.0851","0.0897","","","","","","0.816","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019050","19.1372","0.0011","63.972","0.004","6.9053","0.0005","90","","90","","90","","8453.8","0.9","91","2","91","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Methyl 4-bromo-3,5-dimethoxybenzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C320 H352 Br32 O128 -","32","2","OV3030","Saeed, Aamer; Qasim, Muhammad; Simpson, Jim","Br···O contacts and π‒π stacking dominate the packing in methyl 4-bromo-3,5-dimethoxybenzoate","Acta Crystallographica Section C","2013","69","7","790","793","10.1107/S0108270113015229","","","0.71073","MoKα","","0.0306","0.0263","","","0.0564","0.0577","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019051","4.7546","0.0005","6.1071","0.0014","25.541","0.005","90","","93.686","0.012","90","","740.1","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 4-[2-(4-chlorobenzoyl)hydrazino]-3-nitrobenzoate","","- C15 H12 Cl N3 O5 -","- C15 H12 Cl N3 O5 -","- C30 H24 Cl2 N6 O10 -","2","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.0449","0.0393","","","0.0921","0.0959","","","","","","1.112","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019052","4.5445","0.0006","16.5768","0.0008","19.812","0.002","90","","92.107","0.009","90","","1491.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-[2-(2-fluorobenzoyl)hydrazino]-3-nitrobenzoate","","- C15 H12 F N3 O5 -","- C15 H12 F N3 O5 -","- C60 H48 F4 N12 O20 -","4","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.0839","0.0444","","","0.105","0.1198","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019053","5.9193","0.0014","28.138","0.002","7.3091","0.0008","90","","94.762","0.014","90","","1213.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-phenyl-1,2,4-benzotriazine-6-carboxylate","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.09","0.067","","","0.2372","0.2545","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019054","7.2326","0.0004","12.3516","0.0013","29.695","0.003","90","","90","","90","","2652.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(4-methylphenyl)-1,2,4-benzotriazine- 6-carboxylate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.1144","0.0617","","","0.1517","0.1883","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019055","18.416","0.003","9.2907","0.0017","16.229","0.003","90","","98.059","0.005","90","","2749.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-<i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)benzene-1,4-dicarboxamide-1:2κ^2^<i>N</i>:<i>N</i>']bis{[<i>N</i>,<i>N</i>'-bis(pyridin-3-yl)benzene-1,4-dicarboxamide-κ<i>N</i>]diiodidomercury(II)}","","- C54 H42 Hg2 I4 N12 O6 -","- C54 H42 Hg2 I4 N12 O6 -","- C108 H84 Hg4 I8 N24 O12 -","2","0.5","SF3199","Wu, Xiao-Liu; Zhang, Xiao-Min; Huang, Shu-Yun; Zhou, Wei-Na; Wang, Zhi-Chang","A novel two-dimensional metal‒organic supramolecular framework including π‒π stacking and hydrogen-bond interactions","Acta Crystallographica Section C","2013","69","7","730","733","10.1107/S0108270113015151","","","0.71073","MoKα","","0.0462","0.0295","","","0.0706","0.0883","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019056","9.4006","0.0009","27.461","0.003","9.5349","0.0009","90","","105.987","0.001","90","","2366.2","0.4","151","2","151","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(2-phenylquinoline-4-carboxylato-κ<i>O</i>)silver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C26 H24 Ag N3 O5 -","- C26 H24 Ag N3 O5 -","- C104 H96 Ag4 N12 O20 -","4","1","SK3483","Guo, Jun-Fang; Guo, Bing-Xin; Wu, Jiang-Yu; Yan, Guo-Ping","A three-dimensional supramolecular framework of silver(I), 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","7","742","744","10.1107/S010827011301559X","","","0.71069","MoKα","","0.0539","0.0405","","","0.0926","0.0991","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019057","8.5783","0.001","8.7819","0.0012","10.2156","0.0013","114.835","0.013","98.036","0.01","98.616","0.011","672.67","0.17","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II) 1.2-hydrate","","- C18 H42.4 Cl2 Cu N4 O9.2 -","- C18 H42.4 Cl2 Cu N4 O9.2 -","- C18 H42.4 Cl2 Cu N4 O9.2 -","1","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0857","0.055","","","0.1388","0.1702","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019058","9.0206","0.0002","16.7979","0.0004","17.3754","0.0005","90","","90","","90","","2632.84","0.11","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II)","","- C18 H40 Cl2 Cu N4 O8 -","- C18 H40 Cl2 Cu N4 O8 -","- C72 H160 Cl8 Cu4 N16 O32 -","4","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0587","0.0436","","","0.1068","0.116","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019059","8.2485","0.0003","9.7291","0.0003","19.8055","0.0006","90","","94.737","0.003","90","","1583.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C48 H56 Au8 Br8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0349","0.0246","","","0.0451","0.0477","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019060","7.9048","0.0003","9.5597","0.0003","20.1036","0.0007","90","","99.421","0.004","90","","1498.69","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0315","0.0226","","","0.0383","0.0402","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019061","8.0221","0.0007","9.7523","0.0006","19.9889","0.001","90","","97.552","0.006","90","","1550.25","0.18","295","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picolino)gold(I) dichloroaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0682","0.035","","","0.056","0.0645","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019062","7.9579","0.0004","9.667","0.0005","19.9987","0.0009","90","","98.25","0.005","90","","1522.56","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picolino)gold(I) dichloroaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0517","0.0312","","","0.0498","0.0545","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019063","9.6572","0.0005","9.6878","0.0005","5.7627","0.0003","90.588","0.003","76.997","0.003","97.467","0.002","520.76","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","Ca(gly)2.3H2O","poly[[di-μ-aqua-bis(glycinato-κ^2^<i>N</i>,<i>O</i>)calcium(II)] monohydrate]","","- C4 H14 Ca N2 O7 -","- C4 H14 Ca N2 O7 -","- C8 H28 Ca2 N4 O14 -","2","1","SK3493","Le Bail, Armel; Daudon, Michel; Bazin, Dominique","A new compound in kidney stones? Powder X-ray diffraction study of calcium glycinate trihydrate","Acta Crystallographica Section C","2013","69","7","734","737","10.1107/S0108270113015709","powder diffraction","","1.5418","CuKα","","6.82","","","","","","","","2.05","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019064","12.748","0.005","13.227","0.005","14.46","0.005","103.344","0.004","109.689","0.004","97.861","0.004","2171.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[[aqua-μ~3~-chlorido-tris[μ~3~-4-(pyridin-4-yl)benzoato]tris[μ~2~-4-(pyridin-4-yl)benzoato]dicopper(I)erbium(III)] dihydrate]","","- C48 H38 Cl Cu2 Er N4 O11 -","- C48 H38 Cl Cu2 Er N4 O11 -","- C96 H76 Cl2 Cu4 Er2 N8 O22 -","2","1","WQ3036","Cao, Gao-Juan; Li, Qing-Lu; Rong, Cheng; Wang, Yu-Lin","A tubular one-dimensional polymer constructed from alternating clusters of europium(III)‒water and copper(I) chloride bridged by 4-(pyridin-4-yl)benzoate","Acta Crystallographica Section C","2013","69","7","712","715","10.1107/S0108270113014765","","","0.71073","MoKα","","0.028","0.0259","","","0.0651","0.0672","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019065","7.8778","0.0012","11.2134","0.0014","11.7613","0.0014","69.368","0.012","73.893","0.012","89.07","0.011","930.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","thiamine pyrophosphate dihydrate","3-[(4-Amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl hydrogen pyrophosphate dihydrate","","- C12 H22 N4 O9 P2 S -","- C12 H22 N4 O9 P2 S -","- C24 H44 N8 O18 P4 S2 -","2","1","WQ3039","Li, Shu-Qiang; Hu, Ning-Hai","Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate","Acta Crystallographica Section C","2013","69","7","794","797","10.1107/S0108270113015783","","","0.71073","MoKα","","0.0474","0.0379","","","0.1111","0.1156","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019066","8.3776","0.0012","9.2397","0.0013","14.208","0.002","87.896","0.011","74.324","0.013","75.559","0.011","1024.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Thiamine pyrophosphate trihydrate","3-[(4-Amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl hydrogen pyrophosphate trihydrate","","- C12 H24 N4 O10 P2 S -","- C12 H24 N4 O10 P2 S -","- C24 H48 N8 O20 P4 S2 -","2","1","WQ3039","Li, Shu-Qiang; Hu, Ning-Hai","Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate","Acta Crystallographica Section C","2013","69","7","794","797","10.1107/S0108270113015783","","","0.71073","MoKα","","0.0481","0.0396","","","0.1069","0.1105","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019067","10.157","0.002","5.7147","0.0005","21.208","0.003","90","","105.048","0.015","90","","1188.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-anilino-1<i>H</i>-isochromen-1-one","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","YF3035","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers in 3-amino-4-anilino-1<i>H</i>-isochromen-1-one and a hydrogen-bonded sheet in 3-amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section C","2013","69","7","770","773","10.1107/S0108270113014777","","","0.71073","MoKα","","0.0807","0.0472","","","0.0955","0.1134","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019068","14.5018","0.0015","7.7796","0.0008","11.608","0.002","90","","95.728","0.013","90","","1303.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","YF3035","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers in 3-amino-4-anilino-1<i>H</i>-isochromen-1-one and a hydrogen-bonded sheet in 3-amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section C","2013","69","7","770","773","10.1107/S0108270113014777","","","0.71073","MoKα","","0.0913","0.0497","","","0.1049","0.125","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019069","5.7551","0.0005","16.1579","0.0019","17.123","0.0019","90","","95.464","0.008","90","","1585","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibenzylammonium hydrogen maleate","Dibenzylammonium (2<i>Z</i>)-3-carboxyprop-2-enoate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","YF3037","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane","Acta Crystallographica Section C","2013","69","7","798","802","10.1107/S010827011301651X","","","0.71073","MoKα","","0.0757","0.0461","","","0.0961","0.1099","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019070","25.548","0.006","12.9426","0.0016","18.555","0.003","90","","130.428","0.011","90","","4670.4","1.6","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(dibenzylamino)methane","","- C29 H30 N2 -","- C29 H30 N2 -","- C232 H240 N16 -","8","1","YF3037","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane","Acta Crystallographica Section C","2013","69","7","798","802","10.1107/S010827011301651X","","","0.71073","MoKα","","0.1054","0.0503","","","0.0979","0.1151","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019071","8.3782","0.0006","18.1569","0.0019","14.7588","0.0015","90","","101.309","0.008","90","","2201.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^]","","- C26 H16 N6 O4 Zn -","- C26 H16 N6 O4 Zn -","- C104 H64 N24 O16 Zn4 -","4","1","YP3033","Xiang, Jing","Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section C","2013","69","7","750","753","10.1107/S0108270113016168","","","0.71073","MoKα","","0.0503","0.0392","","","0.0692","0.0739","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019072","11.066","0.003","9.708","0.002","21.717","0.006","90","","104.42","0.03","90","","2259.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","","- C26 H16 N6 O4 Zn -","- C26 H16 N6 O4 Zn -","- C104 H64 N24 O16 Zn4 -","4","1","YP3033","Xiang, Jing","Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section C","2013","69","7","750","753","10.1107/S0108270113016168","","","0.71073","MoKα","","0.114","0.0599","","","0.1016","0.1209","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019073","7.4864","0.0015","8.1555","0.0016","14.136","0.003","78.47","0.03","74.99","0.03","71.43","0.03","783.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis(μ~3~-2-aminoacetato)di-μ-aqua-μ~3~-(naphthalene-1,5-\ disulfonato)-hexasilver(I)] dihydrate]","","- C18 H30 Ag6 N4 O18 S2 -","- C18 H30 Ag6 N4 O18 S2 -","- C18 H30 Ag6 N4 O18 S2 -","1","0.5","BG3160","Wu, Hua; Lü, Xiao-Li; Lü, Bo; Dong, Chang-Xun; Wu, Mei-Sheng","A novel three-dimensional Ag^I^ coordination polymer based on mixed naphthalene-1,5-disulfonate and aminoacetate ligands","Acta Crystallographica Section C","2013","69","8","876","879","10.1107/S0108270113019550","","","0.71073","MoKα","","0.031","0.0256","","","0.0649","0.0662","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019074","3.81686","0.00007","9.6064","0.0003","13.3605","0.0004","94.2974","0.0015","91.7433","0.0014","91.7169","0.0014","488.02","0.02","298","","298","","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminopyridinium) fumarate‒fumaric acid (1/1)","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","1","0.5","CU3028","Dong, Shuichao; Tao, Yaqiu; Shen, Xiaodong; Pan, Zhigang","A new polymorph of bis(2-aminopyridinium) fumarate‒fumaric acid (1/1) from powder X-ray diffraction","Acta Crystallographica Section C","2013","69","8","896","900","10.1107/S0108270113017423","powder diffraction","","1.54056","CuKα1","","","","","","","","","","1.45","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019075","6.4621","0.0004","9.145","0.0005","20.2969","0.0012","90","","90","","90","","1199.46","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,7-Dideaza-2'-deoxy-6-nitronebularine","1-(2-Deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","CU3032","Yang, Haozhe; Budow, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","1,7-Dideaza-2'-deoxy-6-nitronebularine: a pyrrolo[2,3-<i>b</i>]pyridine nucleoside with an intramolecular hydrogen bond stabilizing the <i>syn</i> conformation","Acta Crystallographica Section C","2013","69","8","892","895","10.1107/S0108270113016922","","","0.71073","MoKα","","0.0304","0.0291","","","0.0818","0.0835","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019076","7.2966","0.0009","9.1081","0.0011","10.3723","0.0012","66.803","0.001","88.947","0.002","82.509","0.002","627.78","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3a-Phenyl-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]\ imidazol-1-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C32 H28 N4 O2 -","2","1","EG3127","Grinev, Vyacheslav S.; Egorova, Alevtina Yu.","3a-Phenyl-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]imidazol-1-one, a potential plant-growth regulator","Acta Crystallographica Section C","2013","69","8","880","883","10.1107/S0108270113016119","","","0.71073","MoKα","","0.0476","0.0456","","","0.1222","0.1246","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019077","8.9252","0.0008","16.9606","0.0015","16.5461","0.0014","90","","103.35","0.001","90","","2437","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)[26,28-dioxa-3,7,15,19,25,27-hexaazahexacyclo[19.3.1.1^2,5^.1^9,13^.1^17,20^.0^3,8^]octacosa-1(25),9(27),10,12,14,21,23-heptaene-κ^5^<i>N</i>]copper(II) perchlorate","","- C22 H25 Cl Cu N6 O8 -","- C22 H25 Cl Cu N6 O8 -","- C88 H100 Cl4 Cu4 N24 O32 -","4","1","EG3130","Knapton, Matthew; McKee, Vickie","Triple ring contraction of a [2+2] macrocyclic ligand","Acta Crystallographica Section C","2013","69","8","837","840","10.1107/S010827011301768X","","","0.71073","MoKα","","0.0512","0.0408","","","0.109","0.1152","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019078","15.9945","0.0007","6.7767","0.0003","9.502","0.0004","90","","104.795","0.002","90","","995.77","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","","- C24 H16 N2 O4 Pb -","- C24 H16 N2 O4 Pb -","- C48 H32 N4 O8 Pb2 -","2","0.5","FA3319","Guo, Yi-Ping; Wang, Hui; Li, Guo-Ting","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","Acta Crystallographica Section C","2013","69","8","872","875","10.1107/S0108270113019045","","","0.71073","MoKα","","0.0317","0.0315","","","0.0746","0.0747","","","","","","1.095","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2019079","14.1821","0.0008","8.3971","0.0005","13.6799","0.0008","90","","90","","90","","1629.12","0.16","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C24 H96 Co4 N24 S16 Sb4 -","4","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0232","0.0201","","","0.0368","0.0379","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019080","15.4909","0.0011","15.4909","0.0011","13.6285","0.0009","90","","90","","90","","3270.4","0.4","296","2","296","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C48 H192 Co8 N48 S32 Sb8 -","8","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0273","0.0212","","","0.0394","0.0452","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019081","16.6917","0.0018","5.9748","0.0004","24.84","0.003","90","","91.841","0.01","90","","2476","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-3-<i>tert</i>-butyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-spiro[pyrazolo[3,4-<i>b</i>]pyridine-5,2'-indan]-1',3'-dione","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","FG3298","Quiroga, Jairo; Pantoja, Dayana; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded bilayers in 7-benzyl-3-<i>tert</i>-butyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-spiro[pyrazolo[3,4-<i>b</i>]pyridine-5,2'-indan]-1',3'-dione","Acta Crystallographica Section C","2013","69","8","884","887","10.1107/S0108270113017435","","","0.71073","MoKα","","0.0814","0.0458","","","0.0968","0.1146","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019082","18.2718","0.0012","3.9347","0.0003","29.0066","0.0019","90","","100.188","0.001","90","","2052.5","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]","","- C20 H14 Cu2 F4 N4 Nb O3 -","- C20 H14 Cu2 F4 N4 Nb O3 -","- C80 H56 Cu8 F16 N16 Nb4 O12 -","4","0.5","KU3104","Zhong, Zhi-Guo; Feng, Yu-Quan; Zhang, Ping","<i>catena</i>-Poly[bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]","Acta Crystallographica Section C","2013","69","8","833","836","10.1107/S0108270113018064","","","0.71073","MoKα","","0.0217","0.0206","","","0.0572","0.0579","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019083","11.379","0.002","15.174","0.003","5.8453","0.0011","90","","101.447","0.003","90","","989.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>'}nickel(II)","","- C24 H22 N4 Ni -","- C24 H22 N4 Ni -","- C48 H44 N8 Ni2 -","2","0.5","LG3114","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>'}nickel(II): a supramolecular structure formed by C—H···π hydrogen bonds","Acta Crystallographica Section C","2013","69","8","851","854","10.1107/S0108270113018118","","","0.71073","MoKα","","0.0651","0.0434","","","0.0805","0.088","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019084","5.2113","0.001","20.355","0.004","6.7616","0.0013","90","","109.045","0.002","90","","678","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~7~-sulfanediyldiacetato-disilver(I)]","","- C4 H4 Ag2 O4 S -","- C4 H4 Ag2 O4 S -","- C16 H16 Ag8 O16 S4 -","4","1","QS3025","Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei","Poly[μ~7~-sulfanediyldiacetato-disilver(I)]","Acta Crystallographica Section C","2013","69","8","826","828","10.1107/S0108270113017319","","","0.71073","MoKα","","0.0402","0.039","","","0.1188","0.1201","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019085","18.335","0.007","18.335","0.007","5.141","0.002","90","","90","","90","","1728.3","1.2","105","2","105","2","","","","","","","","4","I 4","I 4","79","Abu-Ser, N-(L-2-aminobutyryl)-L-serine","(<i>S</i>)-2-[(<i>S</i>)-2-Azaniumylbutanamido]-3-hydroxypropanoate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C56 H112 N16 O32 -","8","1","QS3026","Görbitz, Carl Henrik; Yadav, Vitthal N.","An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine","Acta Crystallographica Section C","2013","69","8","888","891","10.1107/S0108270113017484","","","0.71073","MoKα","","0.0863","0.08","","","0.1922","0.195","","","","","","1.301","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019086","11.355","0.002","20.025","0.004","10.4124","0.0008","90","","110.03","0.009","90","","2224.4","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (1<i>RS</i>,3<i>SR</i>,3a<i>RS</i>,6a<i>SR</i>)-1-methyl-3-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","SF3204","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Two methyl 3-(1<i>H</i>-pyrazol-4-yl)octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylates form different hydrogen-bonded sheets","Acta Crystallographica Section C","2013","69","8","915","919","10.1107/S0108270113017563","","","0.71073","MoKα","","0.09","0.0502","","","0.1134","0.136","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019087","16.565","0.003","6.9529","0.0005","21.01","0.004","90","","110.465","0.011","90","","2267.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (1<i>RS</i>,3<i>SR</i>,3a<i>RS</i>,6a<i>SR</i>)-5-(4-chlorophenyl)-1-methyl-3-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-4,6-dioxooctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","","- C25 H23 Cl N4 O4 -","- C25 H23 Cl N4 O4 -","- C100 H92 Cl4 N16 O16 -","4","1","SF3204","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Two methyl 3-(1<i>H</i>-pyrazol-4-yl)octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylates form different hydrogen-bonded sheets","Acta Crystallographica Section C","2013","69","8","915","919","10.1107/S0108270113017563","","","0.71073","MoKα","","0.1161","0.0536","","","0.0931","0.1144","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019088","14.374","0.003","15.875","0.003","17.235","0.003","90","","94.019","0.004","90","","3923.1","1.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[2-(Aminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>'][chlorido/trifluoromethanesulfonato(0.91/0.09)][(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethanesulfonate dichloromethane 0.91-solvate,","","- C41 H37.83 Cl2.74 F3.26 N3 O3.26 P Ru S1.09 -","- C41 H37.828 Cl2.742 F3.258 N3 O3.258 P Ru S1.086 -","- C164 H151.312 Cl10.968 F13.032 N12 O13.032 P4 Ru4 S4.344 -","4","1","SF3205","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael E.","A mixed chloride/trifluoromethanesulfonate ligand species in a ruthenium(II) complex","Acta Crystallographica Section C","2013","69","8","859","861","10.1107/S0108270113019057","","","0.71073","MoKα","","0.0521","0.0342","","","0.0746","0.0816","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019089","6.483","0.007","21.36","0.03","17.56","0.02","90","","90.96","0.03","90","","2431","5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-(hydrazinyl)quinoxaline","","- C15 H12 N4 -","- C15 H12 N4 -","- C120 H96 N32 -","8","2","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.2197","0.1491","","","0.3226","0.3704","","","","","","1.207","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019090","6.687","0.0007","7.2591","0.0008","13.815","0.0016","77.957","0.006","77.357","0.006","75.56","0.005","625.19","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(2-(2-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C30 H22 Cl2 N8 -","2","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.1123","0.1076","","","0.3071","0.3089","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019091","32.14","0.05","6.882","0.009","12.45","0.018","90","","108.43","0.03","90","","2613","7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(2-(3-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C120 H88 Cl8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.069","0.0657","","","0.1341","0.1356","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019092","11.6658","0.0006","10.0515","0.0005","11.7575","0.0008","90","","104.818","0.007","90","","1332.82","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(2-(4-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C60 H44 Cl4 N16 -","4","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0373","0.0321","","","0.0827","0.0856","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019093","6.9712","0.001","12.637","0.0017","30.182","0.004","90","","90","","90","","2658.9","0.6","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(2-(2-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0424","0.0373","","","0.0847","0.0878","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019094","32.781","0.017","6.875","0.003","12.466","0.006","90","","109.096","0.011","90","","2655","2","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(2-(3-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0495","0.0476","","","0.0948","0.0957","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019095","12.002","0.005","9.17","0.003","12.617","0.005","90","","100.004","0.006","90","","1367.5","0.9","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(2-(4-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C60 H44 Br4 N16 -","4","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0658","0.0622","","","0.111","0.1126","","","","","","1.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019096","5.53651","0.00011","8.1058","0.0003","9.1108","0.0002","98.086","0.002","102.085","0.0016","101.499","0.0019","384.624","0.019","298","","298","","","","","","","","","6","P -1","-P 1","2","","Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]","","- C2 H8 N Na O6 P2 -","- C2 H8 N Na O6 P2 -","- C4 H16 N2 Na2 O12 P4 -","2","1","SK3495","Rukiah, Mwaffak; Assaad, Thaer","Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study","Acta Crystallographica Section C","2013","69","8","815","818","10.1107/S0108270113016491","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019097","11.1132","0.0004","5.4109","0.0002","13.1888","0.0005","90","","106.37","0.002","90","","760.92","0.05","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","","- C18 H16 N2 O4 Zn -","- C18 H16 N2 O4 Zn -","- C36 H32 N4 O8 Zn2 -","2","0.5","SK3496","Varelas, Georgios; Salifoglou, Athanasios; Psycharis, Vassilis","Psuedosymmetry and pseudomerodry or nonmerohedral twinning for the known structure of diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","2013","69","8","868","871","10.1107/S0108270113018386","","","1.54178","CuKα","","0.0392","0.0338","","","0.0885","0.0912","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019098","7.7417","0.0002","10.8543","0.0003","12.5527","0.0003","109.463","0.001","90.615","0.001","101.884","0.001","969.62","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~6~-3-(3,5-dicarboxylatobenzyloxy)benzoato](dimethylformamide)-μ-hydroxido-dizinc(II)]","","- C19 H17 N O9 Zn2 -","- C19 H17 N O9 Zn2 -","- C38 H34 N2 O18 Zn4 -","2","1","SK3498","Patra, Ranjan; Goldberg, Israel","A three-dimensional coordination polymer of 3-(3,5-dicarboxybenzyloxy)benzoic acid with zinc","Acta Crystallographica Section C","2013","69","8","819","821","10.1107/S0108270113017204","","","0.71073","MoKα","","0.0383","0.0271","","","0.0543","0.0568","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019099","3.8393","0.0001","18.3309","0.0004","16.4738","0.0004","90","","96.212","0.002","90","","1152.58","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{[(4-Carboxy-3-hydroxyphenyl)iminiumyl]methyl}phenolate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","SK3499","Júnior, Anderson A. B. C.; De Carvalho, Gustavo S. G.; Marques, Lippy F.; Corrêa, Charlane C.; Da Silva, Adilson D.; Machado, Flávia C.","The zwitterionic structure of 2-hydroxy-4-[(2-hydroxybenzylidene)amino]benzoic acid","Acta Crystallographica Section C","2013","69","8","934","936","10.1107/S0108270113018143","","","0.71073","MoKα","","0.0445","0.037","","","0.1034","0.1118","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019100","8.9867","0.0018","20.669","0.004","14.856","0.003","90","","93.545","0.004","90","","2754.2","0.9","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","SK3500","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Cagide, Fernando","Two polymorphs of <i>N</i>-(2-methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","Acta Crystallographica Section C","2013","69","8","927","933","10.1107/S0108270113017538","","","0.71075","MoKα","","0.0574","0.0508","","","0.1135","0.1186","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019101","14.614","0.013","23.95","0.02","8.125","0.007","90","","102.069","0.017","90","","2781","4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","SK3500","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Cagide, Fernando","Two polymorphs of <i>N</i>-(2-methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","Acta Crystallographica Section C","2013","69","8","927","933","10.1107/S0108270113017538","","","0.71075","MoKα","","0.1177","0.0891","","","0.1471","0.1605","","","","","","1.187","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019102","8.46","0.005","9.162","0.005","15.506","0.005","90","","98.097","0.005","90","","1189.9","1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(perchlorato-κ<i>O</i>)copper(II)","","- C16 H36 Cl2 Cu N4 O8 -","- C16 H36 Cl2 Cu N4 O8 -","- C32 H72 Cl4 Cu2 N8 O16 -","2","0.5","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71069","MoKα","","0.0655","0.0433","","","0.1071","0.1214","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019103","12.9252","0.0009","11.7664","0.0005","15.5628","0.001","90","","113.352","0.008","90","","2173","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(nitrato-κ<i>O</i>)zinc(II)","","- C16 H36 N6 O6 Zn -","- C16 H36 N6 O6 Zn -","- C64 H144 N24 O24 Zn4 -","4","0.5","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71073","MoKα","","0.0783","0.0479","","","0.1086","0.1274","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019104","14.035","0.0004","11.6288","0.0002","13.8132","0.0004","90","","111.255","0.003","90","","2101.1","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorido(<i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) chloride","","- C16 H38 Cl2 Cu N4 O -","- C16 H38 Cl2 Cu N4 O -","- C64 H152 Cl8 Cu4 N16 O4 -","4","1","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71073","MoKα","","0.0539","0.0385","","","0.0888","0.0976","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019105","10.0424","0.0002","42.9871","0.0011","7.493","0.0002","90","","90","","90","","3234.68","0.14","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","Bis(2-aminoanilinium) fumarate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","1","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0626","0.0493","","","0.1281","0.1403","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019106","9.4576","0.0003","20.8915","0.0006","10.8787","0.0003","90","","92.611","0.002","90","","2147.22","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methylanilinium hydrogen fumarate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","2","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0627","0.0439","","","0.1182","0.1303","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019107","9.2335","0.0004","23.8248","0.0011","10.4424","0.0005","90","","94.338","0.002","90","","2290.6","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloroanilinium hydrogen fumarate","","- C10 H10 Cl N O4 -","- C10 H10 Cl N O4 -","- C80 H80 Cl8 N8 O32 -","8","2","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0652","0.0425","","","0.1085","0.1224","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019108","10.6408","0.0005","15.8571","0.0004","24.8678","0.0009","90","","93.534","0.004","90","","4188","0.3","289","2","289","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea","","- C19 H21 N3 O4 S -","- C19 H21 N3 O4 S -","- C152 H168 N24 O32 S8 -","8","2","UK3071","Bambi-Nyanguile, Sylvie-Mireille; Mangwala Kimpende, Peter; Pirotte, Bernard; Van Meervelt, Luc","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea, a new TXA~2~ receptor antagonist","Acta Crystallographica Section C","2013","69","8","901","903","10.1107/S010827011301771X","","","0.71073","MoKα","","0.0989","0.0733","","","0.1633","0.1742","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019109","10.3408","0.0005","6.8658","0.0003","30.066","0.0017","90","","97.743","0.005","90","","2115.16","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dirubidium hexaaquacobalt(II) tetrakis(hydrogen phthalate) tetrahydrate","","- C32 H40 Co O26 Rb2 -","- C32 H40 Co O26 Rb2 -","- C64 H80 Co2 O52 Rb4 -","2","0.5","WQ3035","Poleti, Dejan; Rogan, Jelena","Dirubidium hexaaquacobalt(II) tetrakis(hydrogen phthalate) tetrahydrate and coordination modes of the hydrogen phthalate anion","Acta Crystallographica Section C","2013","69","8","841","846","10.1107/S0108270113016788","","","0.71073","MoKα","","0.083","0.0563","","","0.1043","0.1151","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019110","12.879","0.003","13.485","0.003","21.364","0.004","79.74","0.03","86.82","0.03","68.92","0.03","3406.5","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{tris[(1<i>H</i>-benzimidazol-3-ium-2-yl)methyl]amime} tetraaquaocta-μ~2~-chlorido-octachloridopentacadmate(II) monohydrate","","- C48 H58 Cd5 Cl16 N14 O5 -","- C48 H58 Cd5 Cl16 N14 O5 -","- C96 H116 Cd10 Cl32 N28 O10 -","2","1","WQ3037","Yu, Chun-Hua; Zhu, Run-Qiang; Jin, Yu; Liu, Ming-Liang; Jin, Lei","Bis{tris[(1<i>H</i>-benzimidazol-3-ium-2-yl)methyl]amine} tetraaquaocta-μ~2~-chlorido-octachloridopentacadmate(II) monohydrate","Acta Crystallographica Section C","2013","69","8","811","814","10.1107/S0108270113016557","","","0.71073","MoKα","","0.052","0.0395","","","0.072","0.0759","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019111","15.6531","0.0017","8.7619","0.0009","17.4895","0.0018","90","","106.316","0.005","90","","2302.1","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(η^6^-<i>p</i>-Cymene)(difluorophosphinato-κ<i>O</i>){2-[(<i>1</i>H-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}ruthenium(II) hexafluorophosphate tetrafluoroborate (1/0.86/0.14)","","- C19 H23 B0.15 F7.71 N3 O2 P1.85 Ru -","- C19 H23 B0.146 F7.708 N3 O2 P1.854 Ru -","- C76 H92 B0.584 F30.832 N12 O8 P7.416 Ru4 -","4","1","WQ3041","Guzei, Ilia A.; Dolinar, Brian S.; Khumalo, Nozipho; Darkwa, James","Positional and compositional disorder in a ruthenium(II) piano-stool complex","Acta Crystallographica Section C","2013","69","8","847","850","10.1107/S0108270113017605","","","1.54178","CuKα","","0.0279","0.0236","","","0.0548","0.0566","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019112","7.4502","0.0015","16.337","0.003","30.484","0.006","90","","90","","90","","3710.3","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[cadmium(II)-di-μ-chlorido-μ-(4-azonia-1-azabicyclo[2.2.2]octane-1-carboxylato)] [aquadi-μ-chlorido-chloridocadmium(II)] dihydrate]","","- C8 H21 Cd2 Cl5 N2 O5 -","- C8 H21 Cd2 Cl5 N2 O5 -","- C64 H168 Cd16 Cl40 N16 O40 -","8","1","YF3038","Liao, Wei-Qiang; Zhang, Yi","A novel cadmium(II) coordination polymer containing two kinds of independent one-dimensional chain","Acta Crystallographica Section C","2013","69","8","829","832","10.1107/S0108270113017368","","","0.71073","MoKα","","0.0736","0.0461","","","0.0897","0.0987","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019113","7.9422","0.0004","22.0793","0.0011","15.5923","0.0007","90","","96.281","0.004","90","","2717.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>){4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium(II) dihydrate","","- C25 H23 Cd N7 O9 -","- C25 H19 Cd N7 O9 -","- C100 H76 Cd4 N28 O36 -","4","1","YF3039","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","The supramolecular structure of a cadmium complex with the new functionalized terpyridine ligand 4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine (<i>L</i>1): aqua(<i>L</i>1-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)cadmium(II) dihydrate","Acta Crystallographica Section C","2013","69","8","822","825","10.1107/S0108270113017356","","","0.71073","MoKα","","0.1279","0.059","","","0.1122","0.1418","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019114","16.9049","0.0007","7.4168","0.0003","11.7545","0.0005","90","","102.869","0.002","90","","1436.76","0.1","173.2","0.2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","JFB1514","Methyl (1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","QS3027","Bacsa, John; Briones, John","Determination of the electron density in methyl (±)-(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-methyl-1,3-diphenylcyclopropanecarboxylate using refinements with X-ray scattering factors from wavefunction calculations of the whole molecule","Acta Crystallographica, Section C","2013","69","8","910","914","10.1107/S0108270113017496","","","0.71073","MoKα","","0.053","0.03","","","","0.027","","","","","","1.597","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019115","13.013","0.003","10.265","0.002","9.892","0.002","90","","110.448","0.004","90","","1238.1","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","CU3033","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue","Acta Crystallographica Section C","2013","69","9","1073","1076","10.1107/S0108270113022142","","","0.71073","MoKα","","0.1157","0.0561","","","0.1501","0.1894","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019116","11.1481","0.0015","13.1309","0.0018","17.839","0.002","90","","94.474","0.003","90","","2603.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-Dimethyl-<i>N</i>-[1-(1-thiophen-2-yl)ethylidene]aniline","","- C14 H15 N S -","- C14 H15 N S -","- C112 H120 N8 S8 -","8","1","CU3033","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue","Acta Crystallographica Section C","2013","69","9","1073","1076","10.1107/S0108270113022142","","","0.71073","MoKα","","0.0699","0.0481","","","0.1455","0.1727","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019117","12.0523","0.0008","28.1562","0.0019","14.5558","0.001","90","","90.022","0.003","90","","4939.5","0.6","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3<i>S</i>,3a<i>S</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>)-5-[methoxy(methyl)amino]-3,6-bis[(triethylsilyl)oxy]-hexahydrofuro[3,2-<i>b</i>]furan-2-one","","- C20 H41 N O6 Si2 -","- C20 H41 N O6 Si2 -","- C160 H328 N8 O48 Si16 -","8","4","EB5024","Schombs, Matthew W.; Davis, Ryan A.; Fettinger, James C.; Gervay-Hague, Jacquelyn","A fused [3.3.0]-neoglycoside lactone derived from glucuronic acid","Acta Crystallographica Section C","2013","69","9","1062","1066","10.1107/S0108270113013723","","","1.54178","CuKα","","0.047","0.0465","","","0.1158","0.1164","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019118","30.2283","0.0004","30.2283","0.0004","14.3753","0.0003","90","","90","","90","","13135.4","0.4","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Tris(3-anilinocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C33 H31 B N9 O3 Tl -","- C33 H31 B N9 O3 Tl -","- C528 H496 B16 N144 O48 Tl16 -","16","1","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","1.54178","CuKα","","0.033","0.0258","","","0.0652","0.0694","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019119","11.6038","0.0005","12.7036","0.0006","23.0839","0.001","90","","95.201","0.0008","90","","3388.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C27 H43 B N9 O3 Tl -","- C27 H43 B N9 O3 Tl -","- C108 H172 B4 N36 O12 Tl4 -","4","1","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.0823","0.0384","","","0.0576","0.0676","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019120","13.131","0.0015","19.404","0.002","19.771","0.002","97.84","0.002","107.809","0.002","97.599","0.002","4669.8","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Carbonyl[tris(3-anilinocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran trisolvate","","- C46 H55 B Cu N9 O7 -","- C46 H55 B Cu N9 O7 -","- C184 H220 B4 Cu4 N36 O28 -","4","2","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.1026","0.0535","","","0.1214","0.1442","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019121","15.1972","0.0011","15.787","0.0011","34.902","0.003","90","","90","","90","","8373.6","1.1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Carbonyl[tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran hemisolvate","","- C30 H47 B Cu N9 O4.5 -","- C30 H47 B Cu N9 O4.5 -","- C240 H376 B8 Cu8 N72 O36 -","8","2","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.0765","0.0499","","","0.1223","0.1351","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019122","8.9432","0.0018","9.8441","0.0018","14.47","0.003","90","","103.632","0.004","90","","1238","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[diaquatetra-μ~4~-iminodiacetato-copper(II)sodium(I)]","","- C16 H24 Cu3 N4 Na2 O18 -","- C16 H24 Cu3 N4 Na2 O18 -","- C32 H48 Cu6 N8 Na4 O36 -","2","0.5","EG3129","Wang, Yu-Hong; Song, Rui-Feng; Jiang, Fan","A three-dimensional Cu‒Na heteronuclear coordination polymer based on iminodiacetic acid","Acta Crystallographica Section C","2013","69","9","1026","1029","10.1107/S0108270113022075","","","0.71075","MoKα","","0.0393","0.0306","","","0.0693","0.0728","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019123","12.5489","0.0004","16.456","0.0005","20.9643","0.0006","90","","90","","90","","4329.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Anilino(diphenylphosphoryl)methyl]phenol","","- C25 H22 N O2 P -","- C25 H22 N O2 P -","- C200 H176 N8 O16 P8 -","8","1","EG3131","Wu, Ming-Shu; Feng, Qing-Qin; Li, Gao-Nan; Wan, De-Hui","2-[Anilino(diphenylphosphoryl)methyl]phenol from a three-component Kabachnik‒Fields reaction","Acta Crystallographica Section C","2013","69","9","1070","1072","10.1107/S0108270113022087","","","0.71073","MoKα","","0.0817","0.0476","","","0.1061","0.1215","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019124","5.6223","0.0009","8.2012","0.0012","33.573","0.005","90","","90","","90","","1548","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Norvalyl-L-phenylalanine","(<i>S</i>)-2-[(<i>S</i>)-2-Aminopentanamido]-3-phenylpropanoic acid dihydrate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","EG3133","Görbitz, Carl Henrik; Yadav, Vitthal N.","<i>N</i>-(<small>L</small>-2-Aminopentanoyl)-<small>L</small>-phenylalanine dihydrate, a hydrophobic dipeptide with a nonproteinogenic residue","Acta Crystallographica Section C","2013","69","9","1067","1069","10.1107/S0108270113021914","","","0.71073","MoKα","","0.0919","0.0697","","","0.1158","0.125","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019125","8.1171","0.0002","11.4659","0.0002","18.134","0.0004","84.99","0.002","80.12","0.002","76.538","0.002","1615.04","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II)","","- C15 H15 Cu I N2 O2 -","- C15 H15 Cu I N2 O2 -","- C60 H60 Cu4 I4 N8 O8 -","4","2","FG3291","Diniz, Lorrane; Carvalho, Sandra; Borges, Ruth H. U.; Rodrigues, Bernardo L.","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II): a compound with two molecules in the asymmetric unit due to different π‒π interactions","Acta Crystallographica Section C","2013","69","9","1010","1012","10.1107/S0108270113018350","","","0.71073","MoKα","","0.0511","0.0312","","","0.0593","0.0675","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019126","41.357","0.002","3.9369","0.0003","11.4761","0.0005","90","","90","","90","","1868.52","0.19","200","1","200","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒2-(naphthalen-2-yloxy)acetic acid (1/1)","","- C20 H16 Br N3 O3 S -","- C20 H16 Br N3 O3 S -","- C80 H64 Br4 N12 O12 S4 -","4","1","FG3301","Smith, Graham; Lynch, Daniel E.","Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2013","69","9","1034","1038","10.1107/S0108270113019665","","","0.71073","MoKα","","0.0675","0.0556","","","0.0837","0.088","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019127","7.5815","0.0006","7.6164","0.0007","29.846","0.002","90","","91.444","0.007","90","","1722.9","0.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-(4-bromophenyl)-1,2,4-thiadiazol-3-ium 3,5-dinitrobenzoate","","- C15 H10 Br N5 O6 S -","- C15 H10 Br N5 O6 S -","- C60 H40 Br4 N20 O24 S4 -","4","1","FG3301","Smith, Graham; Lynch, Daniel E.","Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2013","69","9","1034","1038","10.1107/S0108270113019665","","","0.71073","MoKα","","0.0662","0.0463","","","0.0888","0.0969","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019128","14.0594","0.0003","17.1924","0.0003","11.474","0.0002","90","","98.146","0.0007","90","","2745.45","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate","","- C60.5 H42.5 I4 N7.5 O5.5 Sn -","- C56 H32 I4 N6 O4 Sn -","- C112 H64 I8 N12 O8 Sn2 -","2","0.5","FG3302","Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Intermolecular iodine‒iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV)","Acta Crystallographica Section C","2013","69","9","1013","1016","10.1107/S0108270113020209","","","0.71073","MoKα","","0.0565","0.0399","","","0.1037","0.1098","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019129","14.0712","0.0002","17.2283","0.0003","11.3198","0.0002","90","","98.742","0.001","90","","2712.3","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate","","- C58.5 H40.5 I4 N9.5 O5.5 Sn -","- C54 H30 I4 N8 O4 Sn -","- C108 H60 I8 N16 O8 Sn2 -","2","0.5","FG3302","Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Intermolecular iodine‒iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV)","Acta Crystallographica Section C","2013","69","9","1013","1016","10.1107/S0108270113020209","","","0.71073","MoKα","","0.042","0.0309","","","0.0657","0.0687","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019130","10.9499","0.0009","13.4234","0.0012","16.8469","0.0015","90","","94.593","0.002","90","","2468.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II)","","- C20 H32 B Cu N7 S2 -","- C20 H32 B Cu N7 S2 -","- C80 H128 B4 Cu4 N28 S8 -","4","1","FG3303","Cañada, Louise Marie C.; Yap, Glenn P. A.; Lim, Patrick John Y.","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II): a new copper(II) dithiocarbamate compound with the classic Tp^Me~2~^ scorpionate","Acta Crystallographica Section C","2013","69","9","977","980","10.1107/S0108270113020192","","","0.71073","MoKα","","0.0488","0.0373","","","0.0977","0.1053","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019131","8.9763","0.0009","7.4575","0.0007","11.0026","0.0011","90","","97.406","0.002","90","","730.38","0.12","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-<i>O</i>-β-<i>D</i>-xylopyranosyl β-<i>D</i>-mannopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C24 H44 O20 -","2","1","FN3140","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-xylopyranosyl β-<small>D</small>-mannopyranoside, a core disaccharide of an antifreeze glycolipid","Acta Crystallographica Section C","2013","69","9","1047","1050","10.1107/S0108270113019021","","","1.54184","CuKα","","0.0264","0.0261","","","0.0687","0.0688","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019132","11.3216","0.001","11.3216","0.0017","9.6946","0.0018","90","","90","","120","","1076.2","0.3","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","sodium tetragermanate","Disodium tetragermanate","","- Ge4 Na2 O9 -","- Ge4 Na2 O9 -","- Ge24 Na12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0316","0.028","","","","0.0549","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019133","11.8461","0.0004","11.8461","0.0004","9.8009","0.0004","90","","90","","120","","1191.1","0.07","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","potassium tetragermanate","Dipotassium tetragermanate","","- Ge4 K2 O9 -","- Ge4 K2 O9 -","- Ge24 K12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0153","0.0143","","","","0.0345","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019134","12.1008","0.0006","12.1008","0.0006","9.8722","0.0005","90","","90","","120","","1251.91","0.11","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","rubidium tetragermanate","Dirubidium tetragermanate","","- Ge4 O9 Rb2 -","- Ge4 O9 Rb2 -","- Ge24 O54 Rb12 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0189","0.0174","","","","0.0424","","","","","","1.196","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019135","6.2908","0.0003","12.4043","0.0006","9.2181","0.0005","90","","106.146","0.002","90","","690.94","0.06","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tutton salt ammonium copper","Diammonium hexaaquacopper(II) disulfate","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","FN3144","Weil, Matthias","On the (non-)existence of Tutton salts with formula types [<i>M</i>(H~2~O)~6~](ClO~4~)~2~(H~2~O)~2~ and Na~2~<i>M</i>(SO~4~)~2~(H~2~O)~6~ (<i>M</i> is a first-row transition metal)","Acta Crystallographica Section C","2013","69","9","990","994","10.1107/S0108270113020027","","","0.71073","MoKα","","0.0244","0.0239","","","0.0693","0.0696","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019136","6.2345","0.0012","12.333","0.003","9.1822","0.0018","90","","105.56","0.03","90","","680.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tutton salt ammonium/potassium copper","Di(ammonium/potassium) hexaaquacopper(II) disulfate","","- Cu H16.704 K0.824 N1.176 O14 S2 -","- Cu H12 K0.824 N1.176 O14 S2 -","- Cu2 H24 K1.648 N2.352 O28 S4 -","2","0.5","FN3144","Weil, Matthias","On the (non-)existence of Tutton salts with formula types [<i>M</i>(H~2~O)~6~](ClO~4~)~2~(H~2~O)~2~ and Na~2~<i>M</i>(SO~4~)~2~(H~2~O)~6~ (<i>M</i> is a first-row transition metal)","Acta Crystallographica Section C","2013","69","9","990","994","10.1107/S0108270113020027","","","0.71073","MoKα","","0.0332","0.0301","","","0.0778","0.0791","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019137","13.6822","0.0014","17.0621","0.0018","18.66","0.002","90","","90","","90","","4356.1","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tripp3PH + Cl O4 -","Tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","","- C45 H70 Cl O4 P -","- C45 H70 Cl O4 P -","- C180 H280 Cl4 O16 P4 -","4","1","FN3145","Boeré, René T.; Zhang, Yuankui","A study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","Acta Crystallographica Section C","2013","69","9","1051","1054","10.1107/S0108270113020647","","","0.71073","MoKα","","0.0654","0.0388","","","0.0864","0.0965","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019138","7.2555","0.0015","13.931","0.003","16.326","0.003","90","","96.07","0.03","90","","1640.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]","","- C13 H22 Cd Cl3 N -","- C13 H22 Cd Cl3 N -","- C52 H88 Cd4 Cl12 N4 -","4","1","FN3146","Sun, Su-Wen; Jin, Lei","A novel pentacoordinated cadmium compound: <i>catena</i>-poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]","Acta Crystallographica Section C","2013","69","9","1030","1033","10.1107/S010827011302221X","","","0.71073","MoKα","","0.0326","0.0301","","","0.0743","0.0759","","","","","","1.261","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019139","7.985","0.0003","6.5561","0.0002","9.6727","0.0004","90","","93.655","0.004","90","","505.34","0.03","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","(Hexaaquadichlorido)neodymium(III) chloride","","- Cl3 H12 Nd O6 -","- Cl3 H12 Nd O6 -","- Cl6 H24 Nd2 O12 -","2","0.5","LG3118","Hsieh, Kuan-Ying; Bendeif, El-Eulmi; Pillet, Sebastien; Doudouh, Abdelatif; Schaniel, Dominik; Woike, Theo","Structural reinvestigation of the photoluminescent complex [NdCl~2~(H~2~O)~6~]Cl","Acta Crystallographica Section C","2013","69","9","1002","1005","10.1107/S0108270113021367","","","0.71073","MoKα","","0.0171","0.0156","","","0.0296","0.0302","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019140","11.4739","0.0006","15.9431","0.0007","13.4291","0.0008","90","","114.048","0.007","90","","2243.4","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ~2~-naphthalene-2,6-dicarboxylato]","","- C56 H42 N4 Ni O8 -","- C56 H42 N4 Ni O8 -","- C112 H84 N8 Ni2 O16 -","2","0.5","SF3203","Guo, Cui-Lian; Yao, Xiao-Qiang; Cheng, Yong-Qiang; Liu, Yan","A three-dimensional polycatenation framework: <i>catena</i>-poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ~2~-naphthalene-2,6-dicarboxylato]","Acta Crystallographica Section C","2013","69","9","1022","1025","10.1107/S010827011302012X","","","0.71073","MoKα","","0.0667","0.0469","","","0.1134","0.1238","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019141","8.45","0.001","11.665","0.002","14.93","0.003","75.44","0.02","76.65","0.02","86.44","0.02","1385.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tricyclic acyclovir","3-[(2-Hydroxyethoxy)methyl]-6-methyl-6<i>H</i>-imidazol[1,2-<i>a</i>]purin-9(5<i>H</i>)-one","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","2","SF3206","Meepripruk, Montha; Haller, Kenneth J.","Reinvestigation of tricyclic acyclovir: characterization of a `proton-wire' model","Acta Crystallographica Section C","2013","69","9","1077","1080","10.1107/S0108270113021082","","","0.71073","MoKα","","0.1215","0.055","","","0.1203","0.1371","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019142","19.862","0.006","7.4877","0.0019","14.236","0.005","90","","133.61","0.02","90","","1533","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(6-amino-3-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)methane","5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]","","- C13 H18 N6 O2 S2 -","- C13 H18 N6 O2 S2 -","- C52 H72 N24 O8 S8 -","4","0.5","UK3079","Trilleras, Jorge; Ramos, Juan; Cobo, Justo; Glidewell, Christopher","5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]: an unusual molecular geometry within a hydrogen-bonded molecular ribbon","Acta Crystallographica Section C","2013","69","9","1043","1046","10.1107/S0108270113020465","","","0.71073","MoKα","","0.0536","0.0409","","","0.1025","0.1128","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019143","9.3674","0.0004","12.5367","0.0006","13.315","0.0007","89.912","0.002","72.786","0.002","84.599","0.001","1486.42","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]copper(I)] tetrafluoroborate acetonitrile monosolvate]","","- C32 H33 B Cu F4 N7 -","- C32 H33 B Cu F4 N7 -","- C64 H66 B2 Cu2 F8 N14 -","2","1","WQ3040","Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong","One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2013","69","9","1017","1021","10.1107/S0108270113019963","","","0.71073","MoKα","","0.0522","0.047","","","0.1368","0.1414","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019144","9.56","0.007","12.946","0.01","13.849","0.011","90.163","0.01","108.773","0.009","95.518","0.009","1614","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]silver(I)] perchlorate methanol monosolvate]","","- C31 H34 Ag Cl N6 O5 -","- C31 H34 Ag Cl N6 O5 -","- C62 H68 Ag2 Cl2 N12 O10 -","2","1","WQ3040","Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong","One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2013","69","9","1017","1021","10.1107/S0108270113019963","","","0.71073","MoKα","","0.0633","0.0444","","","0.107","0.1184","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019145","8.0272","0.0013","17.482","0.003","11.4236","0.0013","90","","118.899","0.008","90","","1403.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)cadmium(II)]-μ-3-(pyridin-2-yl)-5-(1<i>H</i>-1,2,4-triazol-5-yl)-4<i>H</i>-1,2,4-triazol-4-ido]","","- C10 H10 Cd N8 O4 -","- C10 H10 Cd N8 O4 -","- C40 H40 Cd4 N32 O16 -","4","1","WQ3042","Mao, Wen-Zhao; Chen, Jing","A one-dimensional coordination polymer of 5-(pyridin-2-yl)-3,3'-bi(4<i>H</i>-1,2,4-triazole) with Cd(NO~3~)~2~","Acta Crystallographica Section C","2013","69","9","1006","1009","10.1107/S0108270113019999","","","0.71073","MoKα","","0.0299","0.0238","","","0.0568","0.0598","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019146","9.2589","0.0009","16.163","0.0014","16.8728","0.0017","90","","90","","90","","2525","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{1-[Bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-\ 1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","","- C19 H25 N6 Na O8 -","- C19 H25 N6 Na O8 -","- C76 H100 N24 Na4 O32 -","4","1","YF3036","Alkorta, Ibon; Elguero, José; García, María Ángeles; López, Concepción; Claramunt, Rosa M.; Andrade, Gabriel A.; Yap, Glenn P. A.","A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","Acta Crystallographica Section C","2013","69","9","972","976","10.1107/S0108270113018969","","","1.54178","CuKα","","0.1984","0.1358","","","0.3387","0.3809","","","","","","1.449","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019147","7.1582","0.0003","10.5984","0.0007","12.1715","0.0007","113.202","0.006","101.233","0.004","98.045","0.004","808.05","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","Serotonin adipate","2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethanaminium 3-carboxypropanoate","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","YF3040","Rychkov, Denis; Boldyreva, Elena V.; Tumanov, Nikolay A.","A new structure of a serotonin salt: comparison and conformational analysis of all known serotonin complexes","Acta Crystallographica Section C","2013","69","9","1055","1061","10.1107/S0108270113019823","","","0.7107","MoKα","","0.108","0.0514","","","0.0968","0.1205","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019148","8.3637","0.0009","21.493","0.003","13.0968","0.0014","90","","119.941","0.013","90","","2040.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-[(1<i>RS</i>,3<i>SR</i>)-2-Oxocyclohexane-1,3-diyl]bis[(3<i>RS</i>,3'<i>SR</i>)-3-hydroxyindolin-2-one] dihydrate","","- C22 H24 N2 O7 -","- C22 H23.866 N2 O7 -","- C88 H95.464 N8 O28 -","4","1","YF3044","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3,3'-[(1<i>RS</i>,3<i>SR</i>)-2-Oxocyclohexane-1,3-diyl]bis[(3<i>RS</i>,3'<i>SR</i>)-3-hydroxyindolin-2-one] dihydrate: organic layers of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(16) and <i>R</i>~6~^6^(40) rings linked by tetrameric water aggregates","Acta Crystallographica Section C","2013","69","9","1081","1084","10.1107/S0108270113020908","","","0.71073","MoKα","","0.1003","0.0489","","","0.0992","0.1197","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019149","8.882","0.0005","10.1168","0.0017","14.279","0.003","69.627","0.013","72.298","0.01","84.381","0.011","1145.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-<i>tert</i>-Butyl-4-(4-chlorobenzyl)-<i>N</i>-(4-chlorobenzylidene)-1-phenyl-1<i>H</i>-pyrazol-5-amine","","- C27 H25 Cl2 N3 -","- C27 H25 Cl2 N3 -","- C54 H50 Cl4 N6 -","2","1","YF3046","Quiroga, Jairo; Pantoja, Dayana; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-<i>tert</i>-Butyl-4-(4-chlorobenzyl)-<i>N</i>-(4-chlorobenzylidene)-1-phenyl-1<i>H</i>-pyrazol-5-amine: sheets built from π-stacked hydrogen-bonded dimers","Acta Crystallographica Section C","2013","69","9","1039","1042","10.1107/S0108270113020246","","","0.71073","MoKα","","0.1252","0.0592","","","0.1363","0.1747","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019150","10.1383","0.0009","10.6676","0.001","13.5193","0.0013","71.919","0.002","88.912","0.002","67.725","0.002","1278.1","0.2","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","jonyj40","Bis(μ-dimethyl phosphito)-κ^2^<i>P</i>:<i>O</i>;κ^2^<i>O</i>:<i>P</i>-bis{methyl[tris(3,5,-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]rhodium(III)}","","- C36 H62 B2 N12 O6 P2 Rh2 -","- C36 H62 B2 N12 O6 P2 Rh2 -","- C36 H62 B2 N12 O6 P2 Rh2 -","1","0.5","YP3031","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","A tris(pyrazolyl)borate rhodium phosphite complex that undergoes an Arbusov-like rearrangement","Acta Crystallographica Section C","2013","69","9","939","942","10.1107/S0108270113015953","","","0.71073","MoKα","","0.0879","0.0607","","","0.1456","0.157","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019151","13.3372","0.0005","14.3257","0.0005","18.4712","0.001","90","","97.654","0.0008","90","","3497.8","0.3","184","","184","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H47 B Cu N4 P -","- C36 H47 B Cu N4 P -","- C144 H188 B4 Cu4 N16 P4 -","4","1","YP3032","Fujisawa, Kiyoshi; Noguchi, Naoto; Noguchi, Yuki; Lehnert, Nicolai","[Bis(3,5-diisopropylpyrazol-1-yl-κ<i>N</i>^2^)dihydroborato](triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section C","2013","69","9","943","946","10.1107/S0108270113015965","","","0.7107","MoKα","","","0.0299","","","","0.0805","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019152","8.3493","0.0005","13.197","0.0007","25.8732","0.0014","85.084","0.001","89.936","0.001","82.957","0.001","2818.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{η^2^-μ-3-[2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-yl}bis{3-[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-1-yl}digold(I) deuterochloroform disolvate","","- C59 H52 Au2 Cl6 D2 N4 O6 -","- C59 H52 Au2 Cl6 D2 N4 O6 -","- C118 H104 Au4 Cl12 D4 N8 O12 -","2","1","YP3034","Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F.","Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes","Acta Crystallographica Section C","2013","69","9","954","958","10.1107/S0108270113016636","","","0.71073","MoKα","","0.0709","0.0498","","","0.1095","0.1211","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019153","8.4064","0.0005","13.3301","0.0007","38.1","0.002","90","","90.651","0.001","90","","4269.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{3-[2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]prop-1-yn-1-yl}aurate(I)","","- C40 H54 Au N13 O2 -","- C40 H54 Au N13 O2 -","- C160 H216 Au4 N52 O8 -","4","1","YP3034","Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F.","Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes","Acta Crystallographica Section C","2013","69","9","954","958","10.1107/S0108270113016636","","","0.71073","MoKα","","0.0309","0.0286","","","0.0639","0.0646","","","","","","1.185","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019154","9.5735","0.0004","19.6344","0.0009","8.7321","0.0004","90","","90","","90","","1641.37","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[H2B(3,5-(CF3)2Pz)2]Tl","{Bis[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C10 H4 B F12 N4 Tl -","- C10 H4 B F12 N4 Tl -","- C40 H16 B4 F48 N16 Tl4 -","4","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0177","0.0169","","","0.0413","0.0415","","","","","","1.134","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019155","8.1068","0.0004","15.1155","0.0008","9.1676","0.0005","90","","100.034","0.001","90","","1106.2","0.1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","[HB(3,5-(CF3)2Pz)3]Tl","{Tris[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C15 H4 B F18 N6 Tl -","- C15 H4 B F18 N6 Tl -","- C30 H8 B2 F36 N12 Tl2 -","2","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0269","0.0263","","","0.0679","0.0684","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019156","9.891","0.0003","17.7415","0.0005","16.166","0.0005","90","","92.016","0.002","90","","2835.07","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(II)","","- C27 H38 B Co N9 -","- C27 H38 B Co N9 -","- C108 H152 B4 Co4 N36 -","4","1","YP3036","Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M.","Cobalt azide complexes with a tris(carbene)borate ligand scaffold","Acta Crystallographica Section C","2013","69","9","968","971","10.1107/S0108270113017022","","","0.71073","MoKα","","0.0891","0.043","","","0.0896","0.1065","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019157","10.1553","0.0014","12.3593","0.0018","12.8113","0.0017","82.35","0.009","69.88","0.01","85.26","0.01","1495.2","0.4","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","Bis(azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(III)","","- C27 H38 B Co N12 -","- C27 H38 B Co N12 -","- C54 H76 B2 Co2 N24 -","2","1","YP3036","Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M.","Cobalt azide complexes with a tris(carbene)borate ligand scaffold","Acta Crystallographica Section C","2013","69","9","968","971","10.1107/S0108270113017022","","","0.71073","MoKα","","0.1562","0.0599","","","0.1071","0.1425","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019158","14.2713","0.0019","11.9298","0.0017","16.8543","0.0012","90","","104.919","0.008","90","","2772.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetato]chloridozinc(II)","","- C24 H39 Cl N4 S2 Zn -","- C24 H39 Cl N4 S2 Zn -","- C96 H156 Cl4 N16 S8 Zn4 -","4","1","YP3040","Tampier, Stefan; Burzlaff, Nicolai","Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate","Acta Crystallographica Section C","2013","69","9","981","985","10.1107/S0108270113021148","","","0.71073","MoKα","","0.0438","0.0273","","","0.0666","0.0745","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019159","12.4026","0.0003","16.3932","0.0004","17.8867","0.0004","90","","105.013","0.002","90","","3512.56","0.15","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetato](tetrahydrofuran)lithium(I) tetrahydrofuran monosolvate","","- C32 H55 Li N4 O2 S2 -","- C32 H55 Li N4 O2 S2 -","- C128 H220 Li4 N16 O8 S8 -","4","1","YP3040","Tampier, Stefan; Burzlaff, Nicolai","Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate","Acta Crystallographica Section C","2013","69","9","981","985","10.1107/S0108270113021148","","","0.71073","MoKα","","0.0903","0.0538","","","0.1342","0.1551","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019160","17.1939","0.0007","13.3487","0.0005","7.7658","0.0003","90","","90","","90","","1782.38","0.12","125","2","125","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[Tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C15 H22 B In N6 -","- C15 H22 B In N6 -","- C60 H88 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0294","0.0264","","","0.0737","0.0757","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019161","16.6414","0.0008","15.8504","0.0007","10.3779","0.0005","90","","90","","90","","2737.4","0.2","125","2","125","2","","","","","","","","5","A m a 2","A 2 -2a","40","","[Tris(3-<i>tert</i>-butyl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C24 H40 B In N6 -","- C24 H40 B In N6 -","- C96 H160 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0214","0.0191","","","0.0419","0.0429","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019162","9.517","0.0015","17.753","0.003","19.763","0.003","90","","93.952","0.003","90","","3331.1","0.9","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hydrido[tris(3-<i>tert</i>-butyl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]gallium(III) tetrachloridogallium(III),","","- C24 H41 B Cl4 Ga2 N6 -","- C24 H41 B Cl4 Ga2 N6 -","- C96 H164 B4 Cl16 Ga8 N24 -","4","1","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.159","0.0625","","","0.0911","0.1162","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019163","5.5944","0.0004","17.9908","0.0014","18.3844","0.0015","90","","92.22","0.001","90","","1849","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zolmitriptan hydrogen oxalate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1<i>H</i>-indol-3-yl}ethyl)azanium hydrogen oxalate","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","2","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0381","0.0356","","","0.0965","0.0991","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019164","9.5992","0.0015","16.361","0.003","16.927","0.002","90","","90","","90","","2658.4","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zolmitriptan camphor sulfonate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1<i>H</i>-indol-3-yl}ethyl)azanium {2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methanesulfonate","","- C26 H37 N3 O6 S -","- C26 H37 N3 O6 S -","- C104 H148 N12 O24 S4 -","4","1","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0761","0.0618","","","0.1264","0.1324","","","","","","1.104","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019165","5.7265","0.0005","28.646","0.002","7.4941","0.0007","90","","100.327","0.009","90","","1209.43","0.18","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen oxalate dihydrate","4-Carbamoylpiperidinium hydrogen oxalate dihydrate","","- C8 H18 N2 O7 -","- C8 H18 N2 O7 -","- C32 H72 N8 O28 -","4","1","CU3038","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues","Acta Crystallographica Section C","2013","69","10","1192","1195","10.1107/S010827011302430X","","","0.71073","MoKα","","0.0546","0.0418","","","0.1056","0.1102","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019166","5.8454","0.0004","7.7696","0.0005","13.0987","0.0007","75.336","0.005","81.763","0.005","78.448","0.005","561.16","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","isonipecotamide adipate dihydrate","Bis(4-carbamoylpiperidinium) butane-1,4-dicarboxylate dihydrate","","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","1","0.5","CU3038","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues","Acta Crystallographica Section C","2013","69","10","1192","1195","10.1107/S010827011302430X","","","0.71073","MoKα","","0.0515","0.0348","","","0.0829","0.0876","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019167","12.786","0.003","7.872","0.0018","20.732","0.005","90","","105.573","0.003","90","","2010.1","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C104 H80 N16 O4 -","4","1","EM3058","Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~","Acta Crystallographica Section C","2013","69","10","1108","1111","10.1107/S0108270113022105","","","0.71073","MoKα","","0.0531","0.0438","","","0.1135","0.1217","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019168","17.779","0.003","7.3406","0.0014","18.944","0.004","90","","102.942","0.002","90","","2409.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-2,5-bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole]","","- C26 H20 Cl2 N4 O Zn -","- C26 H20 Cl2 N4 O Zn -","- C104 H80 Cl8 N16 O4 Zn4 -","4","1","EM3058","Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~","Acta Crystallographica Section C","2013","69","10","1108","1111","10.1107/S0108270113022105","","","0.71073","MoKα","","0.0631","0.0429","","","0.1014","0.1112","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019169","11.4108","0.0006","7.1795","0.0004","16.9372","0.0009","90","","95.774","0.001","90","","1380.52","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[μ-aqua-aqua-μ~9~-(2,4-dicarboxy-5-sulfonatobenzoato)-dipotassium(I)]","","- C9 H8 K2 O11 S -","- C9 H8 K2 O11 S -","- C36 H32 K8 O44 S4 -","4","1","EM3061","Xiong, Wei-Lu; Wang, Yu-Ling; Liu, Qing-Yan","A three-dimensional polymeric potassium complex of 5-sulfonobenzene-1,2,4-tricarboxylic acid: poly[μ-aqua-aqua-μ~9~-(2,4-dicarboxy-5-sulfonatobenzoato)-dipotassium(I)]","Acta Crystallographica Section C","2013","69","10","1132","1135","10.1107/S0108270113024499","","","0.71073","MoKα","","0.0364","0.0323","","","0.0898","0.0935","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019170","10.9339","0.0007","16.5179","0.0011","11.1325","0.0007","90","","104.114","0.001","90","","1949.9","0.2","186","2","186","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethyl [(4-bromoanilino)(4-ethynylphenyl)methyl]phosphonate","","- C19 H21 Br N O3 P -","- C19 H21 Br N O3 P -","- C76 H84 Br4 N4 O12 P4 -","4","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.0478","0.0376","","","0.075","0.0787","","","","","","1.087","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019171","17.3791","0.0016","14.7131","0.0013","20.019","0.003","90","","90.464","0.001","90","","5118.7","1","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Diethyl ((4-chloro-2-methylanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate","","- C23 H31 Cl N O3 P Si -","- C23 H31 Cl N O3 P Si -","- C184 H248 Cl8 N8 O24 P8 Si8 -","8","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.1453","0.1011","","","0.1648","0.1807","","","","","","1.202","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019172","8.9633","0.0007","11.1726","0.0009","12.6997","0.001","69.98","0.001","87.263","0.001","73.667","0.001","1145.06","0.16","184","2","184","2","","","","","","","","7","P -1","-P 1","2","","Diethyl ((4-fluoroanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate","","- C22 H29 F N O3 P Si -","- C22 H29 F N O3 P Si -","- C44 H58 F2 N2 O6 P2 Si2 -","2","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.0928","0.0612","","","0.1345","0.1475","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019173","11.3104","0.001","11.5194","0.001","17.8485","0.0016","82.703","0.001","81.943","0.001","64.035","0.001","2064.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(4-ethynylphenyl)(naphthalen-2-ylamino)methyl]phosphonate","","- C23 H24 N O3 P -","- C23 H24 N O3 P -","- C92 H96 N4 O12 P4 -","4","2","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.117","0.0752","","","0.1401","0.1555","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019174","13.808","0.004","10.704","0.003","9.183","0.002","90","","90.241","0.004","90","","1357.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[triaqua(isobutyrato-κ<i>O</i>)magnesium(II)]-μ-isobutyrato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","","- C8 H22 Mg O8 -","- C8 H22 Mg O8 -","- C32 H88 Mg4 O32 -","4","1","FG3307","Malaestean, Iurie L.; Schmitz, Sebastian; Ellern, Arkady; Kögerler, Paul","<!?tlsb=-0.06pt>Zigzag polymer chains in <i>catena</i>-poly[[[triaqua(isobutyrato-κ<i>O</i>)magnesium(II)]-μ-isobutyrato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section C","2013","69","10","1144","1146","10.1107/S0108270113025043","","","0.71073","MoKα","","0.0701","0.042","","","0.0824","0.0924","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019175","11.6678","0.0012","16.6283","0.0017","17.8362","0.0018","90","","97.368","0.002","90","","3431.9","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-Methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H11 F5 N4 O -","- C17 H11 F5 N4 O -","- C136 H88 F40 N32 O8 -","8","2","FN3154","Alvarez-Thon, Luis; Bustos, Carlos; Espinoza-Santibañez, Katherina; Garland, Maria Teresa; Baggio, Ricardo","Dimers linked by type-I C—F···F—C contacts in (<i>Z</i>)-3-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2013","69","10","1200","1204","10.1107/S0108270113024943","","","0.71073","MoKα","","0.0879","0.0421","","","0.1061","0.123","","","","","","0.916","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019176","33.661","0.007","5.1236","0.0011","20.232","0.004","90","","113.93","0.002","90","","3189.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Carboxymethyl-3-methyl-1<i>H</i>-imidazol-3-ium chloride 2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)acetate monohydrate","","- C12 H19 Cl N4 O5 -","- C12 H19 Cl N4 O5 -","- C96 H152 Cl8 N32 O40 -","8","1","KU3105","Zhang, Heng; Chang, Liangliang; Wang, Na; Xuan, Xiaopeng","1-Carboxymethyl-3-methyl-1<i>H</i>-imidazol-3-ium chloride 2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions","Acta Crystallographica Section C","2013","69","10","1173","1176","10.1107/S0108270113023676","","","0.71073","MoKα","","0.0562","0.0371","","","0.086","0.0974","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019177","9.31165","0.00009","4.62854","0.00005","15.81663","0.00016","90","","90","","90","","681.686","0.012","298","2","298","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0211","0.019","","","","0.047","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019178","9.3044","0.0005","4.6253","0.0002","15.8331","0.0008","90","","90","","90","","681.39","0.06","90","1","90","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0158","0.0151","","","","0.0379","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019179","9.3081","0.0006","4.6267","0.0003","15.8298","0.0011","90","","90","","90","","681.72","0.08","150","1","150","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.016","0.0153","","","","0.0372","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019180","31.286","0.003","33.409","0.003","14.3488","0.0012","90","","90","","90","","14998","2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Al-complex","Tris(<i>N</i>,<i>N</i>'-diisopropylbenzimidamido)aluminium(III)","","- C39 H57 Al N6 -","- C39 H57 Al N6 -","- C624 H912 Al16 N96 -","16","2","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0819","0.0496","","","0.078","0.0866","","","","","","1.028","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019181","19.205","0.001","16.4832","0.0009","17.8498","0.001","90","","106.287","0.001","90","","5423.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AlCl-complex","Chloridobis(<i>N</i>,<i>N</i>'-diisopropylbenzimidamido)aluminium(III)","","- C26 H38 Al Cl N4 -","- C26 H38 Al Cl N4 -","- C208 H304 Al8 Cl8 N32 -","8","2","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0772","0.0463","","","0.082","0.0896","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019182","22.042","0.004","16.007","0.003","12.852","0.002","90","","115.396","0.002","90","","4096.3","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Amidinate Aluminium Chloride","Chloridobis(<i>N</i>,<i>N</i>'-dicyclohexylbenzimidamido)aluminium(III) tetrahydrofuran 0.675-solvate","","- C40.7 H59.4 Al Cl N4 O0.68 -","- C38 H54 Al Cl N4 -","- C152 H216 Al4 Cl4 N16 -","4","0.5","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0417","0.0373","","","0.0799","0.0818","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019183","12.472","0.004","12.76","0.004","14.192","0.004","76.778","0.005","80.258","0.005","68.709","0.004","2039.4","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[aquabis(μ~3~-2,2'-{[1,2-phenylenebis(methylene)]bis(sulfanediyl)}dibenzoato)dicadmium(II)]","","- C44 H34 Cd2 O9 S4 -","- C44 H34 Cd2 O9 S4 -","- C88 H68 Cd4 O18 S8 -","2","1","KY3038","Deng, Yong-Kai; Yan, Zhi-Hao; Sun, Di","A one-dimensional cadmium metal‒organic chain based on a [Cd~4~(COO)~4~] secondary building unit and a flexible dicarboxylic acid ligand","Acta Crystallographica Section C","2013","69","10","1147","1151","10.1107/S0108270113025699","","","0.71073","MoKα","","0.0818","0.0434","","","0.094","0.1119","","","","","","0.964","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019184","8.5997","0.0005","11.1264","0.0006","11.6962","0.0006","85.02","0.004","85.72","0.004","74.647","0.005","1073.57","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]","","- C20 H23 Cu N3 O9 -","- C20 H23 Cu N3 O9 -","- C40 H46 Cu2 N6 O18 -","2","1","LG3119","Zamisa, Sizwe J.; Ndungu, Patrick; Omondi, Bernard","The double-stranded ladder-like structure of poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]","Acta Crystallographica Section C","2013","69","10","1100","1103","10.1107/S0108270113023093","","","1.54184","CuKα","","0.0386","0.0342","","","0.0939","0.0989","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019185","9.7282","0.0006","24.9148","0.0016","10.0307","0.0006","90","","108.618","0.001","90","","2304","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lamotriginium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H19 Cl2 I N6 O3 -","- C19 H19 Cl2 I N6 O3 -","- C76 H76 Cl8 I4 N24 O12 -","4","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.0348","0.0293","","","0.0734","0.0766","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019186","9.3976","0.0012","24.904","0.003","10.2105","0.0014","90","","108.976","0.003","90","","2259.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Lamotriginium 4-methylbenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 4-methylbenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C20 H22 Cl2 N6 O3 -","- C20 H22 Cl2 N6 O3 -","- C80 H88 Cl8 N24 O12 -","4","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.087","0.0706","","","0.1509","0.1593","","","","","","1.19","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019187","10.0227","0.0005","10.5507","0.0005","12.5359","0.0006","81.858","0.001","71.888","0.001","70.009","0.001","1183.1","0.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H18 Cl2 N8 O8 -","- C19 H18 Cl2 N8 O8 -","- C38 H36 Cl4 N16 O16 -","2","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.062","0.0556","","","0.1595","0.1663","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019188","33.4368","0.0005","6.049","0.0001","14.6066","0.0002","90","","108.034","0.001","90","","2809.18","0.08","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine","","- C16 H12 N4 S -","- C16 H12 N4 S -","- C128 H96 N32 S8 -","8","1","LG3122","Bolduc, Andréanne; Dufresne, Stéphane; Skene, W. G.","The six-membered-ring azomethine <i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine","Acta Crystallographica Section C","2013","69","10","1196","1199","10.1107/S0108270113024566","","","0.71073","MoKα","","0.0382","0.0361","","","0.0917","0.0937","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019189","17.183","0.005","9.482","0.003","20.058","0.007","90","","110.42","0.01","90","","3062.7","1.7","297","2","297","2","","","","","","","","6","C 1 2 1","C 2y","5","Cs2.91Na1.34Fe0.25[Fe3O(SO4)6(H2O)3].5H2O","tricaesium sodium iron(III) μ~3~-oxido-hexa-μ~2~-sulfato-tris[aquairon(III)] pentahydrate","","- Cs2.91 Fe3.25 H16 Na1.34 O33 S6 -","- Cs2.911 Fe3.25 H16 Na1.339 O33 S6 -","- Cs11.644 Fe13 H64 Na5.356 O132 S24 -","4","1","OV3034","Mereiter, Kurt","Cs~2.91~Na~1.34~Fe^3+^~0.25~[Fe~3~O(SO~4~)~6~(H~2~O)~3~]·5H~2~O, a member of the Maus's salt family","Acta Crystallographica Section C","2013","69","10","1085","1090","10.1107/S0108270113023275","","","0.71073","MoKα","","0.0358","0.0279","","","0.0513","0.0535","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019190","7.7253","0.0004","8.6778","0.0005","11.5759","0.0007","72.136","0.005","87.59","0.004","75.671","0.004","715.16","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyrazine-Gabapentin","2-{1-[(Pyrazin-2-ylformamido)methyl]cyclohexyl}acetic acid","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C28 H38 N6 O6 -","2","1","QS3028","Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","<i>C</i>~5~ and <i>C</i>~7~ intramolecular hydrogen bonds stabilize the structure of <i>N</i>-pyrazinoyl-gabapentin (Pyr-Gpn-OH)","Acta Crystallographica Section C","2013","69","10","1170","1172","10.1107/S0108270113021781","","","0.71073","MoKα","","0.0889","0.0496","","","0.1174","0.1614","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019191","11.156","0.002","14.659","0.003","15.887","0.003","90","","96.07","0.03","90","","2583.5","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[di-μ~2~-aqua-hexaaquabis(μ~3~-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]","","- C14 H26 Mn3 N2 O21 -","- C14 H26 Mn3 N2 O21 -","- C56 H104 Mn12 N8 O84 -","4","0.5","SF3207","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Notash, Behrouz","<i>catena</i>-Poly[[di-μ~2~-aqua-hexaaquabis(μ~3~-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]: a new one-dimensional coordination polymer based on a trinuclear Mn^II^ complex of chelidamic acid","Acta Crystallographica Section C","2013","69","10","1140","1143","10.1107/S0108270113025006","","","0.71073","MoKα","","0.0553","0.0397","","","0.0837","0.0885","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019192","11.3701","0.0003","12.7057","0.0003","16.3139","0.0004","90","","100.896","0.002","90","","2314.3","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Hexafluorosilicato-κ^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate","","- C25 H20 F6 N4 O Si Zn -","- C25 H20 F6 N4 O Si Zn -","- C100 H80 F24 N16 O4 Si4 Zn4 -","4","1","SK3504","Seidel, Rüdiger W.; Dietz, Christina; Breidung, Jürgen; Goddard, Richard; Oppel, Iris M.","(Hexafluorosilicato-κ^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate","Acta Crystallographica Section C","2013","69","10","1112","1115","10.1107/S0108270113023007","","","0.71073","MoKα","","0.0466","0.0306","","","0.0655","0.0713","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019193","9.4245","0.0014","10.6605","0.0016","18.405","0.003","80.2989","0.0019","85.094","0.002","78.1155","0.0019","1781.2","0.5","296","","296","","","","","","","","","3","P -1","-P 1","2","","3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","2","SK3507","Shi, Yao-Cheng; Duan, Hong-Yang","Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene and 3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","Acta Crystallographica Section C","2013","69","10","1177","1180","10.1107/S0108270113023792","","","0.71073","MoKα","","0.0875","0.049","","","0.126","0.1492","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019194","23.9715","0.0014","9.5669","0.0016","18.2303","0.0012","90","","119.256","0.003","90","","3647.5","0.7","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","","- Ct H20 N2 O2 wo23 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","SK3507","Shi, Yao-Cheng; Duan, Hong-Yang","Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene and 3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","Acta Crystallographica Section C","2013","69","10","1177","1180","10.1107/S0108270113023792","","","0.71073","MoKα","","0.1186","0.045","","","0.0862","0.1093","","","","","","0.963","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019195","11.757","0.004","16.145","0.006","17.376","0.006","92.254","0.005","91.897","0.006","110.427","0.005","3084.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(diacetyl)bis(2-mercaptoanil)zinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","Bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","","- C65.18 H60.36 N8 O S8.18 Zn4 -","- C65.181 H60.362 N8 O S8.181 Zn4 -","- C130.362 H120.724 N16 O2 S16.362 Zn8 -","2","1","SK3509","Luck, Rudy L.; Olds, Travis A.; Zeller, Matthias","Bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","Acta Crystallographica Section C","2013","69","10","1116","1119","10.1107/S0108270113023524","","","0.71069","MoKα","","0.1062","0.0659","","","","0.1157","","","","","","1.105","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019196","9.5651","0.001","16.6002","0.0017","11.3351","0.0012","90","","108.4","0.001","90","","1707.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[bis{4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}cobalt(II)]-bis[μ-1,3-bis(pyridin-4-yl)propane]]","","- C33 H32 Co N10 O4 S2 -","- C33 H32 Co N10 O4 S2 -","- C66 H64 Co2 N20 O8 S4 -","2","1","WQ3046","Zhao, Ya-Yun; Zhao, Xiu-Hua; Zhang, Jie; Pan, Jian-Guo; Li, Xing","Electrochemical properties of a cobalt(II) complex with sulfadiazine and 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2013","69","10","1096","1099","10.1107/S010827011302297X","","","0.71073","MoKα","","0.041","0.0338","","","0.0783","0.0826","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019197","6.5322","0.0008","30.456","0.004","7.2856","0.0007","90","","91.223","0.003","90","","1449.1","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)]","","- C14 H12 N2 Ni O7 -","- C14 H12 N2 Ni O7 -","- C56 H48 N8 Ni4 O28 -","4","1","WQ3047","Chen, Man-Sheng; Xu, Jin-Sheng; Deng, Yi-Fang; Zhang, Chun-Hua","Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)] displaying an <b>sra</b> topology","Acta Crystallographica Section C","2013","69","10","1124","1127","10.1107/S0108270113023846","","","0.71073","MoKα","","0.0628","0.0588","","","0.146","0.1472","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019198","8.0676","0.0016","8.8427","0.0018","9.0977","0.0018","105.64","0.03","105.18","0.03","98.56","0.03","586.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[trimethylsulfonium [μ~2~-chlorido-di-μ~2~-thiocyanato-cadmate(II)]]","","- C5 H9 Cd Cl N2 S3 -","- C5 H9 Cd Cl N2 S3 -","- C10 H18 Cd2 Cl2 N4 S6 -","2","1","WQ3048","Liu, Ming-Liang","A trimethylsulfonium salt with a novel polymeric cadmate anion","Acta Crystallographica Section C","2013","69","10","1128","1131","10.1107/S0108270113023901","","","0.71073","MoKα","","0.0578","0.0444","","","0.1083","0.115","","","","","","1.093","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019199","10.531","0.003","14.714","0.005","11.675","0.004","90","","104.457","0.004","90","","1751.8","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-5-iodopyridinium bromide hemihydrate","","- C5 H7 Br I N2 O0.5 -","- C5 H7 Br I N2 O0.5 -","- C40 H56 Br8 I8 N16 O4 -","8","2","YF3045","Polson, Matthew; Turnbull, Mark M.; Wikaira, Jan L.","2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate","Acta Crystallographica Section C","2013","69","10","1152","1156","10.1107/S0108270113020891","","","0.71073","MoKα","","0.0256","0.0222","","","0.0491","0.05","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2019200","4.177","0.002","12.972","0.007","17.601","0.01","90","","94.904","0.011","90","","950.2","0.9","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-iodopyridinium chloride monohydrate hydrochloric acid 0.375-solvate","","- C5 H8.375 Cl1.375 I N2 O -","- C5 H8.39 Cl1.38 I N2 O1.01 -","- C20 H33.56 Cl5.52 I4 N8 O4.04 -","4","1","YF3045","Polson, Matthew; Turnbull, Mark M.; Wikaira, Jan L.","2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate","Acta Crystallographica Section C","2013","69","10","1152","1156","10.1107/S0108270113020891","","","0.71073","MoKα","","0.0243","0.0224","","","0.0595","0.0608","","","","","","1.153","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2019201","11.3673","0.0002","9.5997","0.0002","28.6571","0.0005","90","","90","","90","","3127.14","0.1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","","- C10 H22 Cl4 N2 Zn -","- C10 H22 Cl4 N2 Zn -","- C80 H176 Cl32 N16 Zn8 -","8","1","CU3034","Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","The organic‒inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","Acta Crystallographica Section C","2013","69","11","1304","1306","10.1107/S0108270113026267","","","1.54184","CuKα","","0.0227","0.0216","","","0.055","0.0557","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019202","15.0087","0.0003","15.0087","","19.1943","0.0004","90","","90","","120","","3744.46","0.11","295","","295","","","","","","","","","4","R -3","-R 3","148","","Nonasodium scandium hexakis[tetraoxidomolybdate(II)]","","- Mo6 Na9 O24 Sc -","- Mo6 Na9 O24 Sc -","- Mo36 Na54 O144 Sc6 -","6","","CU3037","Savina, Aleksandra A.; Morozov, Vladimir A.; Basovich, Olga M.; Khaikina, Elena G.; Lazoryak, Bogdan I.","The double molybdate Na~9~Sc(MoO~4~)~6~ refined from powder XRD data","Acta Crystallographica Section C","2013","69","11","1301","1303","10.1107/S010827011302862X","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019203","8.4341","0.0013","12.445","0.002","9.6449","0.0015","90","","90","","90","","1012.4","0.3","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium ytterbium tetraborohydride","","- B4 H16 K Yb -","- B4 H16 K Yb -","- B16 H64 K4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0204","0.0204","","0.0235","0.0235","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019204","8.438","0.004","12.057","0.006","9.057","0.004","90","","90","","90","","921.4","0.8","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Sodium ytterbium tetraborohydride","","- B4 H16 Na Yb -","- B4 H16 Na Yb -","- B16 H64 Na4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0156","0.0156","","0.019","0.019","","","","2.25","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019205","7.235","0.002","7.282","0.002","13.512","0.004","88.714","0.005","85.131","0.005","67.239","0.005","654","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dinitro-<i>N</i>-(2-phenylethyl)aniline","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C28 H26 N6 O8 -","2","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0647","0.04","","","0.0929","0.1037","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019206","8.1121","0.0007","10.1819","0.0008","13.1018","0.0011","93.466","0.001","106.595","0.001","106.932","0.001","979.88","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,4-dinitro-1,5-bis-N-(2-phenylethyl)aminobenzene","4,6-Dinitro-<i>N</i>,<i>N</i>'-bis(2-phenylethyl)benzene-1,3-diamine","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0601","0.0427","","","0.1105","0.1207","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019207","7.4871","0.0005","16.27","0.001","10.8432","0.0007","90","","94.384","0.001","90","","1317","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-cyano-4-nitro-N-(2-phenylethyl)aniline","2-cyano-4-nitro-<i>N</i>-(2-phenylethyl)aniline","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0429","0.0378","","","0.108","0.1129","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019208","20.4639","0.0013","20.4639","0.0013","14.3952","0.0014","90","","90","","90","","6028.3","0.8","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-(methylsulfonyl)-2-nitro-N-(2-phenylethyl)aniline","4-(methylsulfonyl)-2-nitro-<i>N</i>-(2-phenylethyl)aniline","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C240 H256 N32 O64 S16 -","16","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0312","0.029","","","0.0842","0.0863","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019209","10.874","0.004","22.702","0.008","9.137","0.003","90","","106.701","0.008","90","","2160.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[copper(II)-μ-[2-({2-[2-(naphthalen-2-yloxy)-1-oxidoethylidene]hydrazin-1-ylidene}methyl)phenolato]] dimethylformamide monosolvate monohydrate]","","- C22 H23 Cu N3 O5 -","- C22 H23 Cu N3 O5 -","- C88 H92 Cu4 N12 O20 -","4","1","EG3136","Chen, Xiao-Hua; Chen, Shun-Yu; Xie, Chun-Ling; Wu, Qiong-Jie","A novel one-dimensional copper(II) coordination polymer and a trinuclear nickel(II) complex with a one-dimensional hydrogen-bonded structure","Acta Crystallographica Section C","2013","69","11","1373","1377","10.1107/S0108270113027984","","","0.71073","MoKα","","0.075","0.0423","","","0.0938","0.1056","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019210","10.978","0.005","11.653","0.005","12.276","0.008","80.87","0.02","64.41","0.02","74.069","0.016","1360.5","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1<i>H</i>-imidazole)bis[μ-2-oxido-<i>N</i>'-(1-oxido-2-phenoxyethylidene)benzohydrazidato]trinickel(II) dimethylformamide tetrasolvate","","- C48 H62 N12 Ni3 O14 -","- C48 H62 N12 Ni3 O14 -","- C48 H62 N12 Ni3 O14 -","1","0.5","EG3136","Chen, Xiao-Hua; Chen, Shun-Yu; Xie, Chun-Ling; Wu, Qiong-Jie","A novel one-dimensional copper(II) coordination polymer and a trinuclear nickel(II) complex with a one-dimensional hydrogen-bonded structure","Acta Crystallographica Section C","2013","69","11","1373","1377","10.1107/S0108270113027984","","","0.71073","MoKα","","0.0807","0.0453","","","0.0988","0.1105","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019211","13.6714","0.0008","17.0453","0.0017","11.2195","0.0011","90","","93.361","0.007","90","","2610","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrafluoroborate","","- C26 H24 B Cu F4 N7 -","- C26 H24 B Cu F4 N7 -","- C104 H96 B4 Cu4 F16 N28 -","4","1","FG3305","Potočňák, Ivan; Burčák, Milan; Dušek, Michal","Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) complexes with tetrafluoroborate and perchlorate anions","Acta Crystallographica Section C","2013","69","11","1357","1361","10.1107/S0108270113027091","","","0.71073","MoKα","","0.0714","0.0445","","","0.1122","0.1236","","","","","","0.988","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019212","13.6977","0.0011","16.9837","0.0017","11.3416","0.0013","90","","93.146","0.01","90","","2634.5","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C26 H24 Cl Cu N7 O4 -","- C26 H24 Cl Cu N7 O4 -","- C104 H96 Cl4 Cu4 N28 O16 -","4","1","FG3305","Potočňák, Ivan; Burčák, Milan; Dušek, Michal","Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) complexes with tetrafluoroborate and perchlorate anions","Acta Crystallographica Section C","2013","69","11","1357","1361","10.1107/S0108270113027091","","","0.71073","MoKα","","0.0476","0.0309","","","0.0908","0.0943","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019213","9.8498","0.0002","12.9871","0.0003","18.8001","0.0004","83.7705","0.0018","89.3525","0.0018","85.699","0.0017","2383.97","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate","","- C54 H36 Fe N14 O5 -","- C54 H36 Fe N14 O5 -","- C108 H72 Fe2 N28 O10 -","2","1","FG3309","Setifi, Zouaoui; Domasevitch, Konstantin V.; Setifi, Fatima; Mach, Pavel; Ng, Seik Weng; Petříček, Vaclav; Dušek, Michal","Multiple anion···π interactions in tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate","Acta Crystallographica Section C","2013","69","11","1351","1356","10.1107/S0108270113027108","","","0.71073","MoKα","","0.0485","0.0387","","","0.09","0.0971","","","","","","1.023","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019214","8.2871","0.0002","30.7094","0.0006","12.1783","0.0002","90","","107.289","0.002","90","","2959.25","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[4-amino-<i>N</i>-(quinoxalin-2-\ yl)benzenesulfonamidato]aquacadmium(II)]-μ-4-amino-<i>N</i>-(quinoxalin-2-\ yl)benzenesulfonamidato]","","- C28 H24 Cd N8 O5 S2 -","- C28 H24 Cd N8 O5 S2 -","- C112 H96 Cd4 N32 O20 S8 -","4","1","FG3310","Zhao, Xiu-Hua; Zhao, Ya-Yun; Zhang, Jie; Pan, Jian-Guo; Li, Xing","Synthesis, crystal structure and fluorescence spectrum of a cadmium(II) sulfaquinoxaline complex","Acta Crystallographica Section C","2013","69","11","1332","1335","10.1107/S010827011302711X","","","1.54184","CuKα","","0.0284","0.0248","","","0.0606","0.0627","","","","","","1.066","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019215","7.9753","0.0011","8.1446","0.0011","11.7776","0.0016","86.829","0.003","81.6","0.003","67.124","0.003","697.29","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide","2-Methyl-6-{[(2,4,6-trimethylbenzene)sulfonyl]azanidyl}pyridin-1-ium","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","FM3002","Pan, Fangfang; Englert, Ulli","A new polymorph of <i>N</i>-(6-methylpyridin-2-yl)mesitylenesulfonamide","Acta Crystallographica Section C","2013","69","11","1217","1220","10.1107/S0108270113025936","","","0.71073","MoKα","","0.0607","0.0457","","","0.1075","0.1154","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019216","13.662","0.001","12.6329","0.001","13.9651","0.0011","90","","90","","90","","2410.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0661","0.0456","","","0.0899","0.1005","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019217","13.7824","0.0011","12.5795","0.001","14.1313","0.0011","90","","90","","90","","2450","0.3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0524","0.0411","","","0.0851","0.0917","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019218","6.1954","0.0004","10.4543","0.0007","14.7654","0.0009","90","","90","","90","","956.33","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-6-aminopenicillanic acid","(2<i>S</i>,5<i>R</i>,6<i>R</i>)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","- C8 H12 N2 O3 S -","- C8 H12 N2 O3 S -","- C32 H48 N8 O12 S4 -","4","1","FM3006","Saouane, Sofiane; Buth, Gernot; Fabbiani, Francesca P. A.","Crystal structure and packing energy calculations of (+)-6-aminopenicillanic acid","Acta Crystallographica Section C","2013","69","11","1238","1242","10.1107/S0108270113025924","","","0.71075","synchrotron","","0.0331","0.0291","","","0.0716","0.0733","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019219","8.233","0.003","11.872","0.004","13.773","0.004","109.61","0.03","95.34","0.03","109.75","0.03","1160.7","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,7-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one‒pyridine-4-carboxamide (1/2)","","- C27 H22 N4 O7 -","- C27 H22 N4 O7 -","- C54 H44 N8 O14 -","2","1","FM3012","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","A 1:2 cocrystal of genistein with isonicotinamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section C","2013","69","11","1267","1272","10.1107/S0108270113029545","","","0.71073","MoKα","","0.0755","0.055","","","0.1409","0.1504","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019220","6.834","0.002","16.923","0.003","12.531","0.002","90","","104.882","0.005","90","","1400.6","0.5","99.8","","99.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile","","- C14 H14 N4 O2 S -","- C14 H14 N4 O2 S -","- C56 H56 N16 O8 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0326","0.0316","","","0.0916","0.1003","","","","","","1.175","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019221","4.828","0.0001","16.1865","0.0005","24.3327","0.0007","90","","90","","90","","1901.56","0.09","99.93","","99.93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4,4-Trifluoro-1-{4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butanone","","- C19 H19 F3 N4 O3 S -","- C19 H19 F3 N4 O3 S -","- C76 H76 F12 N16 O12 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0333","0.0298","","","0.0761","0.0788","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019222","10.7027","0.0006","19.853","0.002","9.873","0.002","90","","104.568","0.002","90","","2030.4","0.5","99.85","","99.85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,5,5-Trifluoro-1-{4-[3-(4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentanone","","- C19 H22 F3 N3 O4 S -","- C19 H22 F3 N3 O4 S -","- C76 H88 F12 N12 O16 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0498","0.0386","","","0.1163","0.1271","","","","","","0.992","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019223","9.4171","0.0006","9.7604","0.0007","13.7949","0.0009","74.708","0.002","86.102","0.002","65.518","0.002","1111.86","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Loxapine succinate monohydrate","Bis[4-(2-chlorodibenzo[<i>b</i>,<i>f</i>][1,4]oxazepin-11-yl)-1-methylpiperazin-1-ium] succinate succinic acid monosolvate monohydrate","","- C44 H52 Cl2 N6 O12 -","- C44 H52 Cl2 N6 O12 -","- C44 H52 Cl2 N6 O12 -","1","0.5","FM3014","Bhardwaj, Rajni M.; Johnston, Blair F.; Oswald, Iain D. H.; Florence, Alastair J.","A complementary experimental and computational study of loxapine succinate and its monohydrate","Acta Crystallographica Section C","2013","69","11","1273","1278","10.1107/S0108270113029363","","","0.71073","MoKα","","0.0536","0.0378","","","0.0911","0.0999","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019224","36.1824","0.0005","7.08622","0.00014","18.769","0.0002","90","","113.84","0.001","90","","4401.7","0.12","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Loxapine succinate","4-(2-Chlorodibenzo[<i>b</i>,<i>f</i>][1,4]oxazepin-11-yl)-1-methylpiperazin-1-ium 3-carcoxypropanoate","","- C22 H24 Cl N3 O5 -","- C22 H24 Cl N3 O5 -","- C176 H192 Cl8 N24 O40 -","8","1","FM3014","Bhardwaj, Rajni M.; Johnston, Blair F.; Oswald, Iain D. H.; Florence, Alastair J.","A complementary experimental and computational study of loxapine succinate and its monohydrate","Acta Crystallographica Section C","2013","69","11","1273","1278","10.1107/S0108270113029363","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","2.198","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019225","16.3604","0.0013","7.7452","0.0006","14.3658","0.0009","90","","100.911","0.003","90","","1787.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-methylpyridinium) bromanilate","Bis(2-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C72 H64 Br8 N8 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0589","0.0331","","","","0.0803","","","","","","0.999","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019226","8.9526","0.0007","9.6149","0.0008","10.4275","0.0008","90","","103.935","0.004","90","","871.17","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(3-methylpyridinium) bromanilate","Bis(3-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C36 H32 Br4 N4 O8 -","2","0.5","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0288","0.0232","","","","0.0606","","","","","","1.081","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019227","8.1345","0.0008","6.1517","0.0006","17.7868","0.0017","90","","96.177","0.007","90","","884.9","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(4-methylpyridinium) bromanilate","Bis(4-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C36 H32 Br4 N4 O8 -","2","0.5","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0528","0.0336","","","","0.0872","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019228","8.2948","0.0002","12.156","0.0004","13.9544","0.0005","90","","102.966","0.002","90","","1371.17","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Lutidinium bromanilate","2,4-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0539","0.0316","","","","0.0809","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019229","7.7357","0.0004","11.1416","0.0006","15.8011","0.0009","90","","94.269","0.003","90","","1358.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,5-Lutidinium bromanilate","2,5-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0913","0.0432","","","","0.1013","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019230","11.6766","0.0005","10.4926","0.0005","11.5221","0.0005","90","","98.834","0.002","90","","1394.92","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-Lutidinium bromanilate","3,5-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0395","0.0271","","","","0.0666","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019231","10.2229","0.0004","5.576","0.0002","24.53","0.0009","90","","95.802","0.003","90","","1391.12","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-4-methylpyridinium bromanilate","","- C12 H8 Br3 N O4 -","- C12 H8 Br3 N O4 -","- C48 H32 Br12 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0739","0.0412","","","","0.1013","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019232","4.9786","0.0004","23.181","0.003","12.2811","0.0013","90","","100.794","0.003","90","","1392.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3-Lutidinium bromanilate","2,3-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0425","0.0281","","","","0.065","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019233","5.2866","0.0003","13.3814","0.0008","20.3576","0.0013","90","","91.556","0.004","90","","1439.61","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromo-3-methylpyridine‒bromanilic acid (1/1)","","- C12 H8 Br3 N O4 -","- C12 H8 Br3 N O4 -","- C48 H32 Br12 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0714","0.0393","","","","0.0861","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019234","9.092","0.004","29.484","0.012","9.093","0.004","90","","117.04","0.05","90","","2171.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-\ 5-(carboxylatomethoxy)benzoato]manganese(II)]","","- C22 H20 Mn N2 O9 -","- C22 H20 Mn N2 O9 -","- C88 H80 Mn4 N8 O36 -","4","1","FN3147","Lei, Yong-Qian; Wang, Guan-Hua","A two-dimensional network containing an ‒Mn—O—C—O—Mn‒ chain: poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-5-(carboxylatomethoxy)benzoato]manganese(II)]","Acta Crystallographica Section C","2013","69","11","1311","1313","10.1107/S0108270113025377","","","0.71073","MoKα","","0.1199","0.0734","","","0.1253","0.142","","","","","","1.107","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019235","6.2966","0.0006","25.416","0.004","11.7111","0.0013","90","","90.162","0.008","90","","1874.2","0.4","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","kga1-101-cp. batch 1","1-(1-Hydroxycyclopent-3-en-1-yl)cyclopent-3-ene-1-carbonitrile","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","2","FN3151","Andrews, Keith G.; Frampton, Christopher S.; Spivey, Alan C.","Structural assignment of a bis-cyclopentenyl-β-cyanohydrin formed <i>via</i> alkene metathesis from either a triene or a tetraene precursor","Acta Crystallographica Section C","2013","69","11","1207","1211","10.1107/S010827011302492X","","","1.54178","CuKα","","0.056","0.0447","","","0.1277","0.1413","","","","","","1.007","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019236","8.1142","0.0019","11.94","0.003","16.16","0.004","77.797","0.004","84.782","0.004","88.231","0.004","1523.8","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","μ-1,2-Bis(pyridin-3-yloxy)ethane-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] tetrahydrate","","- C26 H30 Cu2 N4 O16 -","- C26 H30 Cu2 N4 O16 -","- C52 H60 Cu4 N8 O32 -","2","1","FN3155","Ge, Jing-Yuan; Wang, Peng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","A well-resolved cyclic water tetramer in a dinuclear Cu^II^ coordination complex based on 1,2-bis(pyridin-3-yloxy)ethane and capped by pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2013","69","11","1362","1366","10.1107/S0108270113027996","","","0.71073","MoKα","","0.0875","0.0525","","","0.0866","0.0967","","","","","","1.001","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019237","5.5673","0.0007","15.7196","0.0019","18.125","0.002","90","","97.641","0.004","90","","1572.1","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Carbamazepine mesylate","[(5<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium methanesulfonate","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","0.71073","MoKα","","0.0493","0.0365","","","0.0922","0.0981","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019238","5.4477","0.0002","15.734","0.0007","18.5034","0.0008","90","","96.647","0.004","90","","1575.34","0.11","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9,10-Dihydrocarbamazepine mesylate","[(9,10-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium methanesulfonate","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C64 H72 N8 O16 S4 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","0.71073","MoKα","","0.0394","0.0324","","","0.084","0.0896","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019239","14.9968","0.0012","5.266","0.0003","20.1911","0.0012","90","","102.191","0.007","90","","1558.6","0.18","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine-trifluoroacetic acid (1/1)","Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒trifluoroacetic acid (1/1)","","- C17 H13 F3 N2 O3 -","- C17 H13 F3 N2 O3 -","- C68 H52 F12 N8 O12 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","1.54178","CuKα","","0.05","0.0469","","","0.1327","0.1368","","","","","","1.006","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019240","14.997","0.0003","5.3712","0.0001","20.4441","0.0004","90","","101.529","0.002","90","","1613.58","0.06","270","1","270","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine‒trifluoroacetic acid (1/1)","Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒trifluoroacetic acid (1/1)","","- C17 H13 F3 N2 O3 -","- C17 H13 F3 N2 O3 -","- C68 H52 F12 N8 O12 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","1.54178","CuKα","","0.0538","0.0498","","","0.1487","0.1547","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019241","30.2701","0.0008","5.6712","0.0002","14.2997","0.0003","90","","108.167","0.002","90","","2332.43","0.12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(4-methylanilinium) pentamolybdate","Poly[bis(4-methylanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]","","- C14 H20 Mo5 N2 O16 -","- C14 H20 Mo5 N2 O16 -","- C56 H80 Mo20 N8 O64 -","4","0.5","LG3125","Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław","Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization","Acta Crystallographica Section C","2013","69","11","1367","1372","10.1107/S010827011302845X","powder diffraction","","1.5418","CuKα","","0.0359","0.0358","","0.0456","0.0456","","","","3.31","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019242","32.284","0.002","5.6274","0.0003","14.3066","0.0008","90","","104.329","0.005","90","","2518.3","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-Iodoanilinium pentamolybdate","Poly[bis(4-iodoanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]","","- C12 H14 I2 Mo5 N2 O16 -","- C12 H14 I2 Mo5 N2 O16 -","- C48 H56 I8 Mo20 N8 O64 -","4","0.5","LG3125","Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław","Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization","Acta Crystallographica Section C","2013","69","11","1367","1372","10.1107/S010827011302845X","powder diffraction","","1.78992","CoKα1","","0.048","0.0474","","0.0505","0.0503","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019243","6.3744","0.001","11.961","0.002","21.041","0.003","90","","90","","90","","1604.3","0.4","92","2","92","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glabridin","4-[(3<i>R</i>)-8,8-Dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen-3-yl]benzene-1,3-diol","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","LN3162","Simmler, Charlotte; Fronczek, Frank R.; Pauli, Guido F.; Santarsiero, Bernard D.","Absolute configuration of naturally occurring glabridin","Acta Crystallographica Section C","2013","69","11","1212","1216","10.1107/S0108270113018842","","","1.54184","CuKα","","0.0282","0.0255","","","0.0599","0.0614","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019244","6.2876","0.0003","10.7132","0.0005","6.7764","0.0003","90","","111.143","0.001","90","","425.73","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Acetylpyrrolidine-2-carboxylic acid monohydrate","<i>N</i>-Acetyl-<i>L</i>-proline monohydrate","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of <i>N</i>-acetyl-<small>L</small>-proline monohydrate and <i>N</i>-benzyl-<small>L</small>-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.032","0.0249","","","0.0667","0.069","","","","","","1.089","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019245","8.7552","0.0007","10.6254","0.0008","11.2816","0.0008","90","","93.737","0.002","90","","1047.27","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyl-<i>L</i>-proline","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","2","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of <i>N</i>-acetyl-<small>L</small>-proline monohydrate and <i>N</i>-benzyl-<small>L</small>-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.0375","0.0332","","","0.0867","0.0902","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019246","15.4385","0.0006","6.1475","0.0002","8.7281","0.0003","90","","105.029","0.002","90","","800.03","0.05","116","2","116","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","0.5","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0466","0.043","","","0.1106","0.1131","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019247","14.771","0.0006","6.1622","0.0002","8.6184","0.0003","90","","91.896","0.002","90","","784.03","0.05","116","2","116","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydroxy-1,6-bis(4-methylphenyl)hexa-2,4-diene-1,6-dione","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0716","0.0672","","","0.1486","0.1511","","","","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019248","15.3832","0.0004","6.3481","0.0001","21.1606","0.0005","90","","90.582","0.001","90","","2066.31","0.08","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoato-κ^2^<i>O</i>^1^,<i>O</i>^2^][μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid-κ<i>O</i>^1^]potassium]","","- C22 H19 K O10 -","- C22 H19 K O10 -","- C88 H76 K4 O40 -","4","1","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0368","0.0322","","","0.0868","0.0903","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019249","7.633","0.0009","22.831","0.003","12.5639","0.0012","90","","124.061","0.005","90","","1813.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[4-aminopyridinium [diaqua[μ~3~-5-(carboxylatomethoxy)benzene-1,3-dicarboxylato]cadmium(II)] dihydrate]","","- C15 H20 Cd N2 O11 -","- C15 H20 Cd N2 O11 -","- C60 H80 Cd4 N8 O44 -","4","1","MX3108","Wang, Peng; Zhao, Ying; Chen, Yong; Kou, Xiao-Yan","A novel one-dimensional tubular cadmium(II) coordination polymer based on 5-(carboxylatomethoxy)benzene-1,3-dicarboxylate containing 4-aminopyridinium ions","Acta Crystallographica Section C","2013","69","11","1340","1343","10.1107/S0108270113026292","","","0.71073","MoKα","","0.0299","0.0268","","","0.0592","0.0605","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019250","5.7235","0.0011","27.444","0.006","21.287","0.004","90","","95.6","0.03","90","","3327.7","1.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~6~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato][μ~4~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato]disodium(I)]","","- C19 H19 Na O6 -","- C19 H19 Na O6 -","- C152 H152 Na8 O48 -","8","2","OV3036","Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng","Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid","Acta Crystallographica Section C","2013","69","11","1322","1327","10.1107/S0108270113026450","","","0.71073","MoKα","","0.0935","0.0491","","","0.1112","0.1345","","","","","","1.022","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2019251","8.098","0.0013","8.382","0.0014","15.291","0.002","75.492","0.001","87.242","0.002","86.712","0.003","1002.6","0.3","295","","295","","","","","","","","","5","P 1","P 1","1","","Poly[hexa-μ-aqua-diaquabis{μ~3~-2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetato}tetrasodium(I)]","","- C16 H20 Na2 O12 S -","- C16 H20 Na2 O12 S -","- C32 H40 Na4 O24 S2 -","2","2","OV3036","Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng","Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid","Acta Crystallographica Section C","2013","69","11","1322","1327","10.1107/S0108270113026450","","","0.71073","MoKα","","0.0627","0.0505","","","0.1193","0.1293","","","","","","1.039","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2019252","9.3167","0.0003","10.1345","0.0003","19.4988","0.0006","88.344","0.001","88.179","0.001","67.092","0.005","1694.75","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>;κ^2^<i>O</i>:<i>O</i>'-bis[(6-chloro-2-{(<i>E</i>)-[(pyridin-2-yl)methylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)dizinc(II)]","","- C31 H27 Cl5 N4 O6 Zn2 -","- C31 H27 Cl5 N4 O6 Zn2 -","- C62 H54 Cl10 N8 O12 Zn4 -","2","1","OV3038","Kim, Young-Inn; Lee, Jin Young; Song, Young-Kwang; Kang, Sung Kwon","Different Zn^II^ cation coordination geometries in di-μ-acetato-bis{2-chloro-6-[(pyridine-2-ylmethylimino)methyl]phenol}dizinc(II) chloroform monosolvate","Acta Crystallographica Section C","2013","69","11","1348","1350","10.1107/S0108270113027212","","","0.71073","MoKα","","0.0508","0.0325","","","","0.0748","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019253","11.4579","0.0002","9.83146","0.00018","13.8027","0.0003","90","","95.6581","0.001","90","","1547.27","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-(Hydroxymethyl)pyrrolidin-1-ium (5<i>R</i>,6<i>S</i>,11<i>R</i>,12<i>S</i>)-8-carboxy-5,6,11,12-tetrahydro-5,12:6,11-bis([1,2]benzeno)dibenzo[<i>a</i>,<i>e</i>][8]annulene-2-carboxylate dichloromethane monosolvate","(<i>S</i>)-2-(Hydroxymethyl)pyrrolidin-1-ium 5-carboxyheptacyclo[8.6.6.6^2,9^.0^3,8^.0^11,16^.0^17,22^.0^23,28^]octacosa-2,4,6,8,11(16),12,14,17(22),18,20,23(28),24,26-tridecaene-13-carboxylate dichloromethane monosolvate","","- C36 H33 Cl2 N O5 -","- C36 H33 Cl2 N O5 -","- C72 H66 Cl4 N2 O10 -","2","1","SK3506","Kawanami, Yuko; Tanaka, Hidekazu; Mizoguchi, Jun-ichi; Kanehisa, Nobuko; Fukuhara, Gaku; Nishijima, Masaki; Mori, Tadashi; Inoue, Yoshihisa","Absolute configuration determination of the <i>anti</i>-head-to-head photocyclodimer of anthracene-2-carboxylic acid through cocrystallization with <small>L</small>-prolinol","Acta Crystallographica Section C","2013","69","11","1411","1413","10.1107/S0108270113028461","","","1.54187","CuKα","","","0.0504","","","","0.1371","","","","","","1.075","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019254","7.5434","0.0006","13.002","0.0014","10.513","0.0009","90","","92.728","0.007","90","","1029.94","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil dimethylacetamide monosolvate","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C32 H56 N16 O12 -","4","1","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.0774","0.0642","","","0.1671","0.1773","","","","","","1.041","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019255","7.12","0.0007","21.882","0.003","13.1561","0.0014","90","","92.908","0.008","90","","2047.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil dimethylacetamide monosolvate","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C64 H112 N32 O24 -","8","2","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.1236","0.0624","","","0.1457","0.1685","","","","","","0.984","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019256","7.5767","0.0014","21.889","0.003","7.1356","0.0011","90","","117.312","0.012","90","","1051.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil 1-methylpyrrolidin-2-one monosolvate","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.0822","0.0614","","","0.1629","0.1744","","","","","","1.08","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019257","6.7298","0.0004","11.4266","0.0007","15.2522","0.001","90","","102.292","0.001","90","","1145.99","0.12","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","","- C15 H21 N6 Nd O18 -","- C15 H21 N6 Nd O18 -","- C30 H42 N12 Nd2 O36 -","2","1","UK3083","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","A dense hydrogen-bonding network and an unusually large packing index in triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","Acta Crystallographica Section C","2013","69","11","1378","1382","10.1107/S0108270113027881","","","0.71073","MoKα","","0.0217","0.0206","","","0.0461","0.0467","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019258","10.785","0.002","10.1308","0.0019","8.91","0.003","90","","111.01","0.03","90","","908.8","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-9<i>H</i>-purin-9-ido]zinc(II)]","","- C8 H6 N4 O3 Zn -","- C8 H6 N4 O3 Zn -","- C32 H24 N16 O12 Zn4 -","4","1","WQ3044","Ma, Wen-Juan; Li, Guo-Ting","The purine‒carboxylate-containing coordination polymer poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-6,9-dihydro-1<i>H</i>-purin-9-ido]zinc(II)]","Acta Crystallographica Section C","2013","69","11","1314","1316","10.1107/S0108270113025614","","","0.71073","MoKα","","0.0645","0.0439","","","0.105","0.1108","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2019259","7.744","0.002","8.745","0.002","8.812","0.002","84.933","0.004","89.017","0.004","88.148","0.004","594.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[cadmium(II)-μ~3~-{2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]butanedioato}]","","- C12 H9 Cd N3 O4 -","- C12 H9 Cd N3 O4 -","- C24 H18 Cd2 N6 O8 -","2","1","WQ3045","Cai, Hua; Guo, Ying; Li, Jian-Gang","A one-dimensional coordination polymer created <i>via in situ</i> ligand synthesis involving C—N bond formation","Acta Crystallographica Section C","2013","69","11","1307","1310","10.1107/S010827011302475X","","","0.71073","MoKα","","0.0266","0.0216","","","0.0519","0.0543","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019260","12.1571","0.0003","18.1138","0.0004","9.637","0.0004","90","","113.405","0.001","90","","1947.56","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]","","- C10 H22 Cu2 O18 -","- C5 H7 Cu O7 -","- C40 H56 Cu8 O56 -","8","1","YF3042","Cancino, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Venegas-Yazigi, Diego; Vega, Andrés","The layered structure of poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]","Acta Crystallographica Section C","2013","69","11","1344","1347","10.1107/S0108270113026620","","","0.71073","MoKα","","0.0314","0.0294","","","0.0814","0.0826","","","","","","1.082","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019261","12.5649","0.0003","15.9508","0.0004","13.3525","0.0003","90","","101.335","0.001","90","","2623.91","0.11","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'}{2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}trivinylditin(IV)","","- C24 H27 Cl N2 O4 Sn2 -","- C24 H27 Cl N2 O4 Sn2 -","- C96 H108 Cl4 N8 O16 Sn8 -","4","1","YP3047","Schwarzer, Anke; Paul, Lydia E. H.; Böhme, Uwe","Enantiotropic phase transition in a binuclear tin complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2013","69","11","1336","1339","10.1107/S0108270113027194","","","0.71073","MoKα","","0.0647","0.0338","","","0.0687","0.0823","","","","","","1.029","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019262","13.2848","0.0003","15.7966","0.0004","25.7287","0.0006","90","","109.176","0.001","90","","5099.7","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'}{2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}trivinylditin(IV)","","- C24 H27 Cl N2 O4 Sn2 -","- C24 H27 Cl N2 O4 Sn2 -","- C192 H216 Cl8 N16 O32 Sn16 -","8","2","YP3047","Schwarzer, Anke; Paul, Lydia E. H.; Böhme, Uwe","Enantiotropic phase transition in a binuclear tin complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2013","69","11","1336","1339","10.1107/S0108270113027194","","","0.71073","MoKα","","0.0479","0.0327","","","0.0611","0.0658","","","","","","1.091","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019263","18.537","0.004","16.886","0.003","8.3534","0.0017","90","","101.26","0.03","90","","2564.4","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[aqua{μ~2~-1,4-bis[2-(pyridin-4-yl)ethenyl]benzene-κ^2^<i>N</i>:<i>N</i>'}[μ~4~-2,2'-(1,4-phenylene)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']cadmium(II)]","","- C30 H26 Cd N2 O5 -","- C30 H26 Cd N2 O5 -","- C120 H104 Cd4 N8 O20 -","4","0.5","YP3048","Wang, Jun-Feng; Guo, Wen-Jing; Deng, Fan-Zheng","A fivefold interpenetrating diamondoid framework constructed by flexible dipyridyl and dicarboxylate ligands","Acta Crystallographica Section C","2013","69","11","1328","1331","10.1107/S0108270113027182","","","0.71073","MoKα","","0.0376","0.0324","","","0.0746","0.0767","","","","","","1.135","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019264","10.9122","0.0016","5.0428","0.0007","17.279","0.003","90","","93.284","0.002","90","","949.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-(pyridin-2-yl)ethyl)methanesulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]methanesulfonamide","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C32 H48 N8 O8 S4 -","4","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.0554","0.0391","","","0.094","0.1031","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019265","5.492","0.0007","9.4328","0.0011","24.569","0.003","90","","95.651","0.002","90","","1266.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-(pyridin-2-yl)ethyl)benzenesulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]benzenesulfonamide","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.0924","0.0461","","","0.0793","0.0903","","","","","","1.081","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019266","7.6869","0.0005","15.7109","0.001","22.6742","0.0014","90","","90","","90","","2738.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-(2-(pyridin-2-yl)ethyl)toluensulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]toluenesulfonamide","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.056","0.0403","","","0.1031","0.1088","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019267","6.6783","0.0003","10.8766","0.0006","11.2276","0.0006","100.668","0.002","101.049","0.002","101.917","0.002","761.43","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Gaboxadol hydrochloride","3-Hydroxy-4,5,6,7-tetrahydro-1,2-oxazolo[5,4-<i>c</i>]pyridin-6-ium chloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","2","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","0.71073","MoKα","","0.0612","0.0393","","","0.1044","0.1146","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019268","13.1489","0.0005","6.578","0.0002","17.0721","0.0009","90","","90.42","0.001","90","","1476.59","0.11","220","2","220","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Gaboxadol hydrochloride","3-Hydroxy-4,5,6,7-tetrahydro-1,2-oxazolo[5,4-<i>c</i>]pyridin-6-ium chloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C48 H72 Cl8 N16 O16 -","8","1","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","0.71073","MoKα","","0.0349","0.0264","","","0.0719","0.0751","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019269","13.6018","","6.6783","","17.0168","","89.683","","92.077","","99.652","","1522.87","","","","","","","","","","","","","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","Gaboxadol hydrochloride","4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-ol hydrochloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C48 H72 Cl8 N16 O16 -","8","","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019270","7.3496","0.0016","14.419","0.003","8.57","0.003","90","","113.44","0.02","90","","833.2","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","magnesium chloride dodecahydrate","Magnesium chloride dodecahydrate","","- Cl2 H24 Mg O12 -","- Cl2 H24 Mg O12 -","- Cl4 H48 Mg2 O24 -","2","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0536","0.0478","","","0.1316","0.1408","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019271","11.835","0.004","6.4341","0.0014","16.29","0.004","90","","92.04","0.03","90","","1239.7","0.6","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","magnesium bromide nonahydrate","Magnesium dibromide nonahydrate","","- Br2 H18 Mg O9 -","- Br2 H18 Mg O9 -","- Br8 H72 Mg4 O36 -","4","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0336","0.0293","","","0.0709","0.0718","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019272","15.0768","0.0013","6.6334","0.0003","16.7964","0.0015","90","","125.447","0.006","90","","1368.5","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","magnesium iodide nonahydrate","Magnesium diiodide nonahydrate","","- H18 I2 Mg O9 -","- H18 I2 Mg O9 -","- H72 I8 Mg4 O36 -","4","1","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0353","0.0289","","","0.0954","0.0998","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019273","11.9153","0.0003","6.7482","0.0004","13.6052","0.0005","90","","90","","90","","1093.95","0.08","230","","230","","","","","","","","","4","P c a b","-P 2bc 2ac","61","magnesium chloride octahydrate","Magnesium dichloride octahydrate","","- Cl2 H16 Mg O8 -","- Cl2 H16 Mg O8 -","- Cl8 H64 Mg4 O32 -","4","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0373","0.025","","","0.0508","0.0547","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019274","10.2299","0.0016","7.2642","0.0009","6.1964","0.0009","90","","93.025","0.012","90","","459.83","0.11","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","magnesium bromide hexahydrate","Magnesium dibromide hexahydrate","","- Br2 H12 Mg O6 -","- Br2 H12 Mg O6 -","- Br4 H24 Mg2 O12 -","2","0.25","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0379","0.0377","","","0.119","0.1192","","","","","","1.159","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019275","8.5256","0.0007","15.698","0.0017","9.8671","0.0012","90","","90","","90","","1320.6","0.2","200","","200","","","","","","","","","4","C m c a","-C 2ac 2","64","magnesium iodide octahydrate","Magnesium diiodide octahydrate","","- H16 I2 Mg O8 -","- H16 I2 Mg O8 -","- H64 I8 Mg4 O32 -","4","","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0257","0.0224","","","0.052","0.0531","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019276","12.7258","0.0014","14.4642","0.0016","4.4683","0.0011","90","","92.528","0.017","90","","821.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<i>L</i>-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C30 H44 N4 O12 -","2","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<small>L</small>-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.0112","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019277","27.821","0.002","12.0939","0.0015","4.9917","0.0013","90","","90","","90","","1679.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<i>L</i>-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C60 H88 N8 O24 -","4","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<small>L</small>-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","0.9824","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019278","9.0943","0.0009","9.9151","0.0008","16.4279","0.0013","97.315","0.007","97.69","0.007","92.324","0.007","1453.5","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","(<i>OC</i>-6‒13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)","","- C9 H23 F2 O4 V -","- C9 H23 F2 O4 V -","- C36 H92 F8 O16 V4 -","4","2","EG3138","Kohl, Julia; Wiedemann, Dennis","(<i>OC</i>-6-13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)","Acta Crystallographica Section C","2013","69","12","1482","1484","10.1107/S0108270113029776","","","0.71073","MoKα","","0.0726","0.0515","","","0.0989","0.1073","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019279","7.9006","0.0019","16.302","0.004","16.998","0.005","90","","90","","90","","2189.3","1","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","10-Ethynyl-10<i>H</i>-phenothiazine 5-oxide","","- C14 H9 N O S -","- C14 H9 N O S -","- C112 H72 N8 O8 S8 -","8","1","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0537","","","","0.1474","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019280","9.177","0.003","11.52","0.004","10.819","0.003","90","","90","","90","","1143.8","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","10-Ethynyl-10<i>H</i>-phenothiazine 5,5-dioxide","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","0.5","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0497","","","","0.1281","","","","","","1.105","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019281","10.6656","0.0008","11.8605","0.0009","14.6067","0.0011","108.659","0.001","92.297","0.001","99.04","0.001","1720.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(S)-[Ru^II^(H)~2~(N-(pyridine-2-ylmethyl)(tropNH)(PPh~3~)].THF","Dihydrido[(η-10,11)-(<i>SR</i>)<i>N</i>-(pyridine-2-ylmethyl-κ<i>N</i>)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine](triphenylphosphane-κ<i>P</i>)ruthenium(II) tetrahydrofuran monosolvate","","- C43 H43 N2 O P Ru -","- C43 H43 N2 O P Ru -","- C86 H86 N4 O2 P2 Ru2 -","2","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0418","0.032","","","0.0702","0.0743","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019282","9.2374","0.0004","10.4465","0.0005","15.5708","0.0007","94.297","0.003","99.725","0.003","112.661","0.002","1350.35","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(1SR,2RS)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~2~HN<i>trop</i>)]","Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II) dimethoxyethane hemisolvate","","- C34 H34 Cl N2 O Ru -","- C34 H34 Cl N2 O Ru -","- C68 H68 Cl2 N4 O2 Ru2 -","2","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0486","0.0321","","","0.0553","0.0587","","","","","","0.923","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019283","24.1125","0.0004","24.1125","0.0004","18.0487","0.0007","90","","90","","90","","10493.7","0.5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","(S,R)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~3~HN<i>trop</i>)]","Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II)","","- C33 H31 Cl N2 Ru -","- C33 H31 Cl N2 Ru -","- C528 H496 Cl16 N32 Ru16 -","16","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0662","0.0344","","","0.0662","0.073","","","","","","0.918","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019284","8.4999","0.0012","11.1689","0.0015","32.202","0.004","94.586","0.002","90.88","0.002","107.708","0.002","2900.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ~2~-acetone-di-μ~3~-trifluoroacetato-deca-μ~2~-trifluoroacetato-octacopper(I)dicopper(II)","","- C30 H12 Cu10 F36 O26 -","- C30 H12 Cu10 F36 O26 -","- C60 H24 Cu20 F72 O52 -","2","1","FA3322","Hietsoi, Oleksandr; Filatov, Alexander S.; Petrukhina, Marina A.","Building a two-dimensional network from mixed-valence copper units held together by acetone bridges","Acta Crystallographica Section C","2013","69","12","1416","1420","10.1107/S0108270113025559","","","0.71073","Mo-Kα","","0.0718","0.0483","","","0.1104","0.1258","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019285","16.716","0.004","12.535","0.003","15.232","0.004","90","","113.331","0.003","90","","2930.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II)","","- C30 H10 Cu F36 O20 Sn8 -","- C30 H10 Cu F36 O20 Sn8 -","- C60 H20 Cu2 F72 O40 Sn16 -","2","0.5","FA3323","Lieberman, Craig M.; Filatov, Alexander S.; Vreshch, Volodimir D.; Dikarev, Evgeny V.","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II): a prospective precursor for Cu-doped SnO~2~ films","Acta Crystallographica Section C","2013","69","12","1427","1430","10.1107/S0108270113025717","","","0.71073","Mo-Kα","","0.0336","0.0274","","","0.0667","0.0711","","","","","","1.042","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019286","17.204","0.0003","18.2618","0.0003","20.2538","0.0004","90","","94.572","0.001","90","","6343","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(dtbpe)NiCl2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) chloroform disolvate","","- C20 H42 Cl8 Ni P2 -","- C20 H42 Cl8 Ni P2 -","- C160 H336 Cl64 Ni8 P16 -","8","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0781","0.0536","","","0.1162","0.129","","","","","","1.087","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019287","11.1034","0.0007","15.1216","0.0009","14.5301","0.0009","90","","109.965","0.001","90","","2293","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(dtbpe)NiCl2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","","- C18 H40 Cl2 Ni P2 -","- C18 H40 Cl2 Ni P2 -","- C72 H160 Cl8 Ni4 P8 -","4","2","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0592","0.0445","","","0.0892","0.0959","","","","","","1.032","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019288","20.3765","0.0014","8.1817","0.0006","14.7392","0.001","90","","112.272","0.001","90","","2273.9","0.3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiBr2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dibromidonickel(II)","","- C18 H40 Br2 Ni P2 -","- C18 H40 Br2 Ni P2 -","- C72 H160 Br8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0419","0.0338","","","0.0749","0.0785","","","","","","0.988","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019289","20.4783","0.0009","8.3037","0.0004","14.9472","0.0007","90","","110.999","0.001","90","","2372.9","0.19","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiI2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II)","","- C18 H40 I2 Ni P2 -","- C18 H40 I2 Ni P2 -","- C72 H160 I8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0264","0.0237","","","0.0467","0.0478","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019290","26.3705","0.0017","26.3705","0.0017","16.79","0.0011","90","","90","","90","","11675.8","1.3","200","2","200","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II) dichloromethane monosolvate","","- C27 H26 Cl2 I2 Ni P2 -","- C27 H26 Cl2 I2 Ni P2 -","- C432 H416 Cl32 I32 Ni16 P32 -","16","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0426","0.0353","","","0.0699","0.0746","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019291","9.079","0.002","8.564","0.002","13.833","0.004","90","","106.016","0.003","90","","1033.8","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate","Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","","- C2 H12 Ca N O11 V -","- C2 H12 Ca N O11 V -","- C8 H48 Ca4 N4 O44 V4 -","4","1","FG3311","Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato","Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","Acta Crystallographica Section C","2013","69","12","1494","1497","10.1107/S0108270113031181","","","0.71069","MoKα","","0.0184","0.0175","","","0.0475","0.0481","","","","","","1.078","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019292","10.156","0.003","8.851","0.002","12.549","0.003","90","","112.818","0.003","90","","1039.8","0.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate","Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","","- C2 H12 N O11 Sr V -","- C2 H11.99 N O11 Sr V -","- C8 H47.96 N4 O44 Sr4 V4 -","4","1","FG3311","Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato","Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","Acta Crystallographica Section C","2013","69","12","1494","1497","10.1107/S0108270113031181","","","0.71069","MoKα","","0.0212","0.0192","","","0.0447","0.0457","","","","","","1.082","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019293","8.502","0.003","15.446","0.005","27.071","0.01","90","","96.226","0.004","90","","3534","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-Dibenzoyl-2,7-dihydroxynaphthalene","","- C24 H16 O4 -","- C24 H16 O4 -","- C192 H128 O32 -","8","2","FG3312","Mohri, Saki; Yoshiwaka, Sayaka; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene","Acta Crystallographica Section C","2013","69","12","1541","1544","10.1107/S0108270113030771","","","0.7107","MoKα","","0.0686","0.0501","","","0.1077","0.1182","","","","","","1.088","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019294","12.5153","0.0009","14.1333","0.0011","14.6716","0.001","90","","96.863","0.004","90","","2576.6","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B acetone hemisolvate 0.11-hydrate","(8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>,17<i>R</i>,20<i>S</i>,22<i>R</i>,24<i>R</i>,25<i>S</i>)-16,24-Cyclo-13,14-secoergosta-2,5-diene-1,15-dioxo-14:17,14:27-diepoxy-13-hydroxy-18,26-dioic acid 18:20,26:22-di-γ-lactone δ-lactone acetone hemisolvate 0.11-hydrate","","- C29.5 H33.22 O9.61 -","- C29.5 H33.216 O9.608 -","- C118 H132.864 O38.432 -","4","2","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese <i>Physalis angulata</i> L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54178","CuKα","","0.0699","0.0558","","","0.136","0.1473","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019295","12.4859","0.0004","14.1716","0.0004","14.6559","0.0007","90","","96.829","0.003","90","","2574.89","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B epoxyphysalin B acetone monosolvate","Physalin B epoxyphysalin B acetone monosolvate","","- C59 H66 O19.67 -","- C59 H66 O19.669 -","- C118 H132 O39.338 -","2","1","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese <i>Physalis angulata</i> L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54184","CuKα","","0.0739","0.0638","","","0.1684","0.1752","","","","","","1.056","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019296","7.6219","0.0003","7.6219","0.0003","13.1632","0.0009","90","","90","","90","","764.69","0.07","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Imidazolidin-2-one","","- C3 H6 N2 O -","- C3 H6 N2 O -","- C24 H48 N16 O8 -","8","0.5","FG3316","Taouss, Christina; Jones, Peter G.; Tindall, Daniel J.","Imidazolidin-2-one: pseudosymmetry and twinning","Acta Crystallographica Section C","2013","69","12","1534","1536","10.1107/S0108270113030746","","","0.71073","MoKα","","0.0349","0.0317","","","0.0769","0.0794","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019297","6.618","0.002","8.527","0.003","13.111","0.004","86.34","0.005","89.487","0.005","68.617","0.005","687.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua-μ~4~-oxydiacetato-di-μ~4~-sulfato-dipraseodymium(III)] hemihydrate]","","- C4 H9 O15.5 Pr2 S2 -","- C4 H9 O15.5 Pr2 S2 -","- C8 H18 O31 Pr4 S4 -","2","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0216","0.0205","","","0.0492","0.0498","","","","","","1.142","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019298","10.542","0.003","16.52","0.005","10.885","0.004","90","","108.921","0.005","90","","1793.2","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquadi-μ~3~-oxydiacetato-μ~3~-sulfato-dineodymium(III)] 1.32-hydrate]","","- C8 H14.64 Nd2 O17.32 S -","- C8 H14.64 Nd2 O17.32 S -","- C32 H58.56 Nd8 O69.28 S4 -","4","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0212","0.0202","","","0.0451","0.0456","","","","","","1.152","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019299","10.4709","0.0017","16.441","0.003","10.8721","0.0018","90","","109.528","0.002","90","","1764","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquadi-μ~3~-oxydiacetato-μ~3~-sulfato-disamarium(III)] 1.32-hydrate]","","- C8 H14.64 O17.32 S Sm2 -","- C8 H14.64 O17.32 S Sm2 -","- C32 H58.56 O69.28 S4 Sm8 -","4","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0205","0.019","","","0.0461","0.0468","","","","","","1.093","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019300","11.0292","0.0009","11.0292","0.0009","11.0292","0.0009","90","","90","","90","","1341.63","0.19","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Heptarubidium europium nonaindium heptatriacontagermanide","","- Eu0.61 Ge37.12 In8.88 Rb7.39 -","- Eu0.6 Ge37.12 In8.88 Rb7.4 -","- Eu0.6 Ge37.12 In8.88 Rb7.4 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0206","0.0177","","","0.0407","0.0416","","","","","","1.182","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019301","11.0592","0.0003","11.0592","0.0003","11.0592","0.0003","90","","90","","90","","1352.61","0.06","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Hexarubidium dieuropium decaindium hexatriacontagermanide","","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0196","0.0161","","","0.0296","0.0307","","","","","","1.147","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019302","11.0614","0.0007","11.0614","0.0007","11.0614","0.0007","90","","90","","90","","1353.41","0.15","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Hexarubidium dieuropium decaindium hexatriacontagermanide","","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0288","0.0206","","","0.0414","0.0444","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019303","9.7841","0.0005","12.3479","0.0007","13.8639","0.0005","90","","90","","90","","1674.94","0.14","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4,4-Dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl)(1<i>H</i>-indol-3-yl)methanone","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","KU3113","Paz, Cristian; Becerra, José; Silva, Mario; Freire, Eleonora; Baggio, Ricardo","A polymorphic form of 4,4-dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl 3-indolyl ketone, an indole alkaloid extracted from <i>Aristotelia chilensis</i> (maqui)","Acta Crystallographica Section C","2013","69","12","1509","1512","10.1107/S0108270113025523","","","0.71073","MoKα","","0.0803","0.0538","","","0.1213","0.1395","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019304","23.723","0.003","6.7123","0.0007","14.8382","0.0017","90","","94.178","0.004","90","","2356.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl(pyridine-κ<i>N</i>){5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}rhenium(I)","","- C26 H21 N4 O4 Re -","- C26 H21 N4 O4 Re -","- C104 H84 N16 O16 Re4 -","4","1","KY3040","Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate","Acta Crystallographica Section C","2013","69","12","1467","1471","10.1107/S0108270113027947","","","0.71073","MoKα","","0.0491","0.0306","","","","0.0743","","","","","","1.125","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019305","7.9776","0.0006","11.6818","0.0008","15.3994","0.0011","92.113","0.004","98.13","0.003","92.384","0.004","1418.13","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{5,7-Bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}tricarbonyl(pyridine-κ<i>N</i>)rhenium(I)","","- C31 H23 N6 O4 Re -","- C31 H23 N6 O4 Re -","- C62 H46 N12 O8 Re2 -","2","1","KY3040","Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate","Acta Crystallographica Section C","2013","69","12","1467","1471","10.1107/S0108270113027947","","","0.71073","MoKα","","0.0286","0.0219","","","","0.0449","","","","","","1.088","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019306","13.166","0.003","6.8812","0.0014","11.958","0.002","90","","90","","90","","1083.4","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-Dichloromethyl-3-methyl-1,4-naphthalenedione","2-Dichloromethyl-3-methyl-1,4-dihydronaphthalene-1,4-dione","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","0.5","KY3044","Soave, Raffaella; Colombo, Pietro","Intermolecular C—H···O, Cl···Cl and π‒π interactions in the 2-dichloromethyl derivative of vitamin K~3~","Acta Crystallographica Section C","2013","69","12","1563","1566","10.1107/S010827011303196X","","","0.71073","MoKα","","0.1114","0.0481","","","0.1164","0.1612","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019307","6.7279","0.0003","9.7888","0.0004","5.4611","0.0002","90","","95.149","0.002","90","","358.21","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>fac</i>-Triamminetrichloridorhodium(III)","","- Cl3 H9 N3 Rh -","- Cl3 H9 N3 Rh -","- Cl6 H18 N6 Rh2 -","2","0.5","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.961","","","2.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019308","7.496","0.001","7.496","0.001","5.256","0.0008","90","","90","","120","","255.77","0.06","296","2","296","2","","","","","","","","4","P 3","P 3","143","","<i>fac</i>-Triamminetrinitratorhodium(III)","","- H9 N6 O9 Rh -","- N6 O9 Rh -","- N6 O9 Rh -","1","0.333333","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","","","0.71073","MoKα","","0.0191","0.0191","","","0.0481","0.0481","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019309","17.344","0.015","6.509","0.005","7.522","0.006","90","","90.79","0.017","90","","849.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato)copper(I)]","","- C7 H5 Cu N4 S -","- C7 H5 Cu N4 S -","- C28 H20 Cu4 N16 S4 -","4","1","LN3165","Zhou, Fang-Xia; Yue, Cheng-Yang; Zhang, Hui-Ping; Lei, Xiao-Wu","A two-dimensional Cu^I^ framework incorporating the 1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiol ligand","Acta Crystallographica Section C","2013","69","12","1478","1481","10.1107/S0108270113029065","","","0.71073","MoKα","","0.0706","0.0519","","","0.12","0.1333","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019310","5.7828","0.0004","20.7395","0.0014","29.4867","0.0019","90","","90","","90","","3536.4","0.4","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Lapatinb monotosylate","({5-[4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)[2-(methylsulfonyl)ethyl]azanium 4-methylbenzenesulfonate","","- C36 H34 Cl F N4 O7 S2 -","- C36 H34 Cl F N4 O7 S2 -","- C144 H136 Cl4 F4 N16 O28 S8 -","4","1","OV3039","Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.","Tosylate salts of the anticancer drug lapatinib","Acta Crystallographica Section C","2013","69","12","1516","1523","10.1107/S0108270113028965","","","0.71073","MoKα","","0.0634","0.0568","","","0.1332","0.1373","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019311","9.2122","0.0006","13.2387","0.0009","18.3758","0.0012","95.387","0.001","92.463","0.001","100.359","0.001","2190.7","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","Lapatinib ditosylate","4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-]5-({[2-(methylsulfonyl)ethyl]azaniumyl}methyl)furan-2-yl[quinazolin-1-ium bis(4-methylbenzenesulfonate)","","- C43 H42 Cl F N4 O10 S3 -","- C43 H42 Cl F N4 O10 S3 -","- C86 H84 Cl2 F2 N8 O20 S6 -","2","1","OV3039","Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.","Tosylate salts of the anticancer drug lapatinib","Acta Crystallographica Section C","2013","69","12","1516","1523","10.1107/S0108270113028965","","","0.71073","MoKα","","0.0802","0.0622","","","0.1599","0.1735","","","","","","1.028","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019312","7.9406","0.0004","6.8025","0.0004","33.27","0.0017","90","","90","","90","","1797.11","0.17","200","1","200","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","sodium 4-chloro-3-nitrobenzoate monohydrate","Poly[aqua(μ~4~-4-chloro-3-nitrobenzoato)sodium(I)]","","- C7 H5 Cl N Na O5 -","- C7 H5 Cl N Na O5 -","- C56 H40 Cl8 N8 Na8 O40 -","8","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0407","0.0365","","","0.0888","0.0914","","","","","","1.132","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019313","6.611","0.0006","6.9443","0.0007","11.7453","0.0011","75.054","0.008","85.243","0.007","67.249","0.009","480.35","0.09","200","1","200","1","","","","","","","","5","P -1","-P 1","2","sodium 4-nitroanthranilate dihydrate","Poly[μ-aqua-aqua(μ~3~-2-amino-4-nitrobenzoato)sodium(I)]","","- C7 H9 N2 Na O6 -","- C7 H9 N2 Na O6 -","- C14 H18 N4 Na2 O12 -","2","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0509","0.0402","","","0.1032","0.1132","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019314","11.0753","0.0006","7.3693","0.0004","11.8371","0.0007","90","","110.144","0.006","90","","907.01","0.09","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium 4-nitroanthranilate monohydrate","Poly[μ-aqua-aqua(μ~5~-2-amino-4-nitrobenzoato)potassium(I)]","","- C7 H7 K N2 O5 -","- C7 H7 K N2 O5 -","- C28 H28 K4 N8 O20 -","4","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0409","0.0323","","","0.0738","0.0776","","","","","","1.035","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019315","6.616","0.003","15.683","0.006","8.545","0.004","90","","108.037","0.005","90","","843","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene","","- C21 H18 N4 -","- C21 H18 N4 -","- C42 H36 N8 -","2","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.0634","0.0532","","","0.1083","0.1122","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019316","12.749","0.009","17.215","0.011","9.489","0.006","90","","100.402","0.009","90","","2048","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[dichloridodicopper(I)(<i>Cu</i>—<i>Cu</i>)]-μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene]","","- C21 H18 Cl2 Cu2 N4 O0 -","- C21 H18 Cl2 Cu2 N4 -","- C84 H72 Cl8 Cu8 N16 -","4","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.0783","0.0603","","","0.161","0.172","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019317","11.205","0.004","11.347","0.004","11.652","0.004","66.157","0.005","66.036","0.004","81.515","0.005","1238","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[tetra-μ~2~-chlorido-tetracopper(I)]-bis[μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dipropyl-9<i>H</i>-fluorene]]","","- C25 H26 Cl2 Cu2 N4 -","- C25 H26 Cl2 Cu2 N4 -","- C50 H52 Cl4 Cu4 N8 -","2","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.103","0.057","","","0.1287","0.1431","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019318","8.2246","0.0016","8.7495","0.0017","11.454","0.002","100.67","0.03","97.26","0.03","94.68","0.03","798.8","0.3","223.15","","223.15","","","","","","","","","4","P -1","-P 1","2","2,2'-Biimidazole-3,3'-diium 2,5-dicarboxybenzene-1,4-dicarboxylate","2-(Imidazol-1-ium-2-yl)imidazol-1-ium 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C16 H12 N4 O8 -","- C16 H12 N4 O8 -","- C32 H24 N8 O16 -","2","1","SF3209","Zhong, Kai-Long","Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine","Acta Crystallographica Section C","2013","69","12","1537","1540","10.1107/S0108270113030801","","","0.71073","MoKα","","0.0613","0.0462","","","0.1149","0.1224","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019319","9.5166","0.0007","9.997","0.0008","12.4106","0.0008","77.979","0.006","73.421","0.006","62.655","0.008","1001.03","0.15","223.15","","223.15","","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-(4-methylpyridin-2-yl)pyridinium 2,4,5-tricarboxybenzoate monohydrate","","- C22 H20 N2 O9 -","- C22 H20 N2 O9 -","- C44 H40 N4 O18 -","2","1","SF3209","Zhong, Kai-Long","Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine","Acta Crystallographica Section C","2013","69","12","1537","1540","10.1107/S0108270113030801","","","0.71073","MoKα","","0.071","0.0505","","","0.1144","0.1264","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019320","19.3355","0.0005","5.9277","0.0002","14.5264","0.0004","90","","109.222","0.001","90","","1572.12","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azobis(4-benzoyloxy-2,2,6,6-tetramethylpiperidinyloxidanyl)","4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl)","","- C32 H42 N4 O6 -","- C32 H42 N4 O6 -","- C64 H84 N8 O12 -","2","0.5","SK3514","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.","4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical","Acta Crystallographica Section C","2013","69","12","1513","1515","10.1107/S0108270113029211","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.153","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019321","9.2168","0.0016","9.7617","0.0018","12.6839","0.0017","77.688","0.016","75.951","0.011","68.117","0.013","1017.7","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9<i>E</i>)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one","","- C25 H21 N3 O S -","- C25 H21 N3 O S -","- C50 H42 N6 O2 S2 -","2","1","SK3519","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(9<i>E</i>)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one: a hydrogen-bonded <i>R</i>~2~^2^(8) dimer","Acta Crystallographica Section C","2013","69","12","1524","1526","10.1107/S010827011303059X","","","0.71073","MoKα","","0.0828","0.0465","","","0.0909","0.1065","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019322","8.0655","0.0016","10.391","0.002","12.735","0.003","105.6","0.01","103.47","0.01","102.81","0.02","952.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,2'-Disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione‒dimethylformamide‒water (3/2/4)","","- C24 H34 N14 O12 S6 -","- C24 H34 N14 O12 S6 -","- C24 H34 N14 O12 S6 -","1","0.5","WQ3050","Wu, De-Hong","Three-dimensional hydrogen-bonded assembly in 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione‒dimethylformamide‒water (3/2/4)","Acta Crystallographica Section C","2013","69","12","1545","1548","10.1107/S0108270113031521","","","0.71073","MoKα","","0.064","0.0421","","","0.0985","0.1097","","","","","","1.027","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019323","8.6591","0.0012","4.998","0.0007","28.346","0.004","90","","98.042","0.003","90","","1214.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71073","MoKα","","0.0787","0.0433","","","0.1049","0.1246","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019324","12.989","0.012","8.301","0.007","29.11","0.02","90","","94.29","0.02","90","","3130","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7-Methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide hemihydrate","","- C18 H16 N O4.5 -","- C18 H16 N O4.5 -","- C144 H128 N8 O36 -","8","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71075","MoKα","","0.109","0.0959","","","0.1987","0.2078","","","","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019325","5.7544","0.0004","8.0892","0.0005","15.6269","0.0014","101.926","0.007","95.366","0.009","92.579","0.009","707.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","7-Methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71075","MoKα","","0.0532","0.0379","","","0.1016","0.1069","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019326","8.628","0.003","8.628","0.003","24.621","0.01","90","","90","","90","","1832.8","1.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","","- C12 H20 Ag3 N7 O3 -","- C12 H20 Ag3 N7 O3 -","- C48 H80 Ag12 N28 O12 -","4","0.5","YF3050","Jiang, Feng; Dai, Lin; Shi, Yiqiang; Wang, Zhixiang","A three-dimensional chiral crystal structure constructed from a chiral triazolate ligand showing an SrSi~2~ topology: poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","Acta Crystallographica Section C","2013","69","12","1485","1487","10.1107/S0108270113029788","","","0.71073","MoKα","","0.0295","0.0285","","","0.0627","0.0632","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""