# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T19:54:21+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 = 65 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
"2016912","7.2192","0.0014","8.3899","0.0017","11.191","0.002","74.81","0.03","84.38","0.03","74.77","0.03","630.9","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","Poly[[hexaaquadi-μ-hydroxido-bis(μ-3-nitrophthalato)tricopper(II)] dihydrate]","","- C16 H24 Cu3 N2 O22 -","- C16 H24 Cu3 N2 O22 -","- C16 H24 Cu3 N2 O22 -","1","0.5","BG3085","Wang, Feng-Qin; Lu, Fan-Li; Wei, Bin; Zhao, Yong-Nan","Poly[[di-μ-aqua-tetraaquadi-μ-hydroxido-bis(μ~3~-3-nitrophthalato)tricopper(II)] dihydrate]","Acta Crystallographica Section C","2009","65","1","m42","m44","10.1107/S0108270108041504","","","0.71073","MoKα","","0.0489","0.0419","","","0.1052","0.108","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016913","7.6075","0.0013","22.281","0.004","9.8205","0.0016","90","","108.15","0.002","90","","1581.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[diaqua-μ-4,4'-bipyridine-dinitratodi-μ-L-tyrosinato-diaquadicopper(II)]","","- C28 H32 Cu2 N6 O14 -","- C28 H32 Cu2 N6 O14 -","- C56 H64 Cu4 N12 O28 -","2","1","BG3088","Zhang, Shuo; Hu, Ning-Hai","Poly[[diaqua-μ-4,4'-bipyridine-dinitratodi-μ-<small>L</small>-tyrosinato-dicopper(II)]: a chiral two-dimensional coordination polymer","Acta Crystallographica Section C","2009","65","1","m7","m9","10.1107/S0108270108038985","","","0.71073","MoKα","","0.0574","0.0522","","","0.1339","0.1372","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016914","8.0458","0.0009","14.2074","0.0016","12.1692","0.0013","90","","90.261","0.002","90","","1391","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[hexaaquabis[μ~4~-3,5-bis(carboxylatomethoxy)benzoato]trizinc(II)]","","- C22 H26 O22 Zn3 -","- C22 H26 O22 Zn3 -","- C44 H52 O44 Zn6 -","2","0.5","DN3100","Cen, Zhong-Min; Li, Fa-Si; Ni, Qing-Ling; Wang, Xiu-Jian; Li, Bin","A double-layered zinc(II) coordination polymer with the ligand 3,5-bis(carboxylatomethoxy)benzoate","Acta Crystallographica Section C","2009","65","1","m17","m20","10.1107/S0108270108039802","","","0.71073","MoKα","","0.0382","0.0308","","","0.0815","0.0863","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016915","6.7115","0.0015","9.4207","0.0008","12.1863","0.0011","90","","100.942","0.002","90","","756.5","0.19","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis-O^2^-methylated dimethyl-1,6-hexanediamine diazeniumdiolate","1,1'-Dimethoxy-3,3'-dimethyl-2,2'-dioxido-3,3'-(hexane-1,6-diyl)ditriazene- 2,2'-diium","","- C10 H24 N6 O4 -","- C10 H24 N6 O4 -","- C20 H48 N12 O8 -","2","0.5","FA3166","Zhou, Zhengrong; Reynolds, Melissa M.; Kampf, Jeff W.; Meyerhoff, Mark E.","1,1'-Dimethoxy-3,3'-dimethyl-3,3'-(hexane-1,6-diyl)bis(triazen-2-ium-2-olate): a nitric oxide donor","Acta Crystallographica Section C","2009","65","1","o1","o2","10.1107/S0108270108038420","","","0.71073","MoKα","","0.0458","0.0358","","","0.1124","0.1178","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016916","8.3381","0.0004","8.6806","0.0003","8.8521","0.0005","68.4693","0.0017","78.8197","0.0017","81.035","0.004","582.17","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium 3-carboxy-1-benzofuran-2-carboxylate","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","FG3067","Koner, Rajesh; Goldberg, Israel","Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form","Acta Crystallographica Section C","2009","65","1","m37","m41","10.1107/S0108270108040419","","","0.71073","MoKα","","0.0663","0.0447","","","0.104","0.1157","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016917","8.1383","0.0002","9.9782","0.0003","11.3225","0.0002","107.505","0.0012","108.483","0.0014","99.4472","0.0009","796.68","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-carboxy-1-benzofuran-2-carboxylato-κO^3^)tetrakis(1H-imidazole- κN^3^)copper(II)","","- C32 H26 Cu N8 O10 -","- C32 H26 Cu N8 O10 -","- C32 H26 Cu N8 O10 -","1","0.5","FG3067","Koner, Rajesh; Goldberg, Israel","Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form","Acta Crystallographica Section C","2009","65","1","m37","m41","10.1107/S0108270108040419","","","0.71073","MoKα","","0.042","0.0367","","","0.0928","0.0967","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016918","38.925","0.0016","8.6186","0.0003","28.443","0.0009","90","","90","","90","","9542","0.6","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","","heptaaquabis(3-carboxy-1-benzofuran-2-carboxylato-κ<i>O</i>^3^)lanthanum(IV) bis(hemihydrogen 3-carboxy-1-benzofuran-2-carboxylate) tetrahydrate","","- C40 H43 La O31 -","- C40 H34 La O27 -","- C320 H272 La8 O216 -","8","0.5","FG3067","Koner, Rajesh; Goldberg, Israel","Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form","Acta Crystallographica Section C","2009","65","1","m37","m41","10.1107/S0108270108040419","","","0.71073","MoKα","","0.0665","0.049","","","0.1073","0.1141","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016919","9.0283","0.0002","9.6152","0.0002","10.1064","0.0003","93.1051","0.0014","113.844","0.0013","106.223","0.0014","756.41","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato- μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethene solvate]","","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","1","0.5","FG3070","Atria, Ana María; Corsini, Gino; Talamilla, Arlyn; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous cobalt(II) complexes: poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato-μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethene solvate] and the 1,2-di-4-pyridylethane analogue","Acta Crystallographica Section C","2009","65","1","m24","m27","10.1107/S0108270108041541","","","0.71073","MoKα","","0.0318","0.0298","","","0.0766","0.0782","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016920","9.0933","0.0004","9.5887","0.0005","10.0058","0.0005","92.2999","0.0007","111.97","0.0006","105.644","0.0007","769.33","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato- μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethane solvate]","","- C34 H32 Co N4 O10 -","- C34 H32 Co N4 O10 -","- C34 H32 Co N4 O10 -","1","0.5","FG3070","Atria, Ana María; Corsini, Gino; Talamilla, Arlyn; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous cobalt(II) complexes: poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato-μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethene solvate] and the 1,2-di-4-pyridylethane analogue","Acta Crystallographica Section C","2009","65","1","m24","m27","10.1107/S0108270108041541","","","0.71073","MoKα","","0.0287","0.0282","","","0.0752","0.0758","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016921","25.44","0.004","16.333","0.003","21.916","0.004","90","","98.671","0.002","90","","9002","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[bis(μ~2~-perchlorato-κ^2^<i>O</i>:<i>O</i>')(2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')lead(II)]","","- C15 H11 Cl2 N3 O8 Pb -","- C15 H11 Cl2 N3 O8 Pb -","- C300 H220 Cl40 N60 O160 Pb20 -","20","2.5","FG3072","Blake, Alexander J.; Caltagirone, Claudia; Lippolis, Vito; Shamsipur, Mojtaba","A new polymorph of poly[bis(μ~2~-perchlorato-κ^2^<i>O</i>:<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')lead(II)] with a greatly extended chain repeat distance","Acta Crystallographica Section C","2009","65","1","m33","m36","10.1107/S0108270108042236","","","0.71073","MoKα","","0.0935","0.0448","","","0.0999","0.126","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016922","7.0414","0.0003","7.6933","0.0003","11.4621","0.0006","87.216","0.003","89.845","0.003","85.364","0.003","618.16","0.05","291","0.3","291","0.3","","","","","","","","5","P -1","-P 1","2","","2,3-Dihydro-1,3-benzothiazol-2-iminium hydrogen oxydiacetate","","- C11 H12 N2 O5 S -","- C11 H12 N2 O5 S -","- C22 H24 N4 O10 S2 -","2","1","GA3105","Trzesowska-Kruszynska, Agata; Kruszynski, Rafal","2,3-Dihydro-1,3-benzothiazol-2-iminium hydrogen oxydiacetate: a combined structural and theoretical study","Acta Crystallographica Section C","2009","65","1","o19","o23","10.1107/S0108270108038365","","","0.71073","MoKα","","0.0464","0.0331","","","0.085","0.0905","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016923","13.6255","0.0002","16.0184","0.0003","26.2466","0.0005","101.744","0.0012","92.4786","0.0012","114.916","0.0008","5032.65","0.16","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin <i>N</i>,<i>N</i>'-dimethylformamide tetrasolvate","","- C56 H58 N8 O8 -","- C56 H58 N8 O8 -","- C224 H232 N32 O32 -","4","2","GD3260","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded assemblies of 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin with dimethylformamide, dimethylacetamide and water","Acta Crystallographica Section C","2009","65","1","o3","o7","10.1107/S0108270108040018","","","0.71073","MoKα","","0.1356","0.0632","","","0.1406","0.1691","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016924","12.8346","0.0002","13.6669","0.0002","15.32","0.0003","102.83","0.0006","90.2339","0.0006","104.355","0.0011","2533.39","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin <i>N</i>,<i>N</i>'-dimethylformamide tetrasolvate monohydrate","","- C56 H60 N8 O9 -","- C56 H60 N8 O9 -","- C112 H120 N16 O18 -","2","1","GD3260","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded assemblies of 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin with dimethylformamide, dimethylacetamide and water","Acta Crystallographica Section C","2009","65","1","o3","o7","10.1107/S0108270108040018","","","0.71073","MoKα","","0.077","0.0528","","","0.1355","0.1526","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016925","35.5243","0.0008","6.5265","0.0002","29.2172","0.0009","90","","102.271","0.001","90","","6619.2","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin <i>N</i>,<i>N</i>'-dimethylformamide hexasolvate dihydrate","","- C68 H88 N10 O12 -","- C68 H88 N10 O12 -","- C272 H352 N40 O48 -","4","0.5","GD3260","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded assemblies of 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin with dimethylformamide, dimethylacetamide and water","Acta Crystallographica Section C","2009","65","1","o3","o7","10.1107/S0108270108040018","","","0.71073","MoKα","","0.1034","0.0688","","","0.1381","0.1542","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016926","10.5688","0.0017","12.1887","0.0019","12.6816","0.0015","90","","114.696","0.01","90","","1484.2","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","4-nitro-1-oxo-2-{(<i>E</i>)-[2-(piperidin-1- yl)ethyl]iminiomethyl}cyclohexadienide","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C56 H76 N12 O12 -","4","1","GD3261","Santos-Contreras, Rocio J.; Ramos-Organillo, Angel; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.","The zwitterion of 4-nitro-2-{(<i>E</i>)-[2-(piperidin-1-yl)ethyl]iminomethyl}phenol","Acta Crystallographica Section C","2009","65","1","o8","o10","10.1107/S0108270108040407","","","0.71073","MoKα","","0.0774","0.0659","","","0.1444","0.1506","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016927","29.924","0.002","29.928","0.002","33.233","0.003","90","","101.646","0.009","90","","29150","4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Di-<i>tert</i>-butylmethylphosphane)(η^2^-di-<i>tert</i>- butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)","","- C35 H54 P4 Pt -","- C35 H54 P4 Pt -","- C1120 H1728 P128 Pt32 -","32","4","GG3157","Konitz, Antoni; Krautscheid, Harald; Pikies, Jerzy","(Di-<i>tert</i>-butylmethylphosphane)(η^2^-di-<i>tert</i>-butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)","Acta Crystallographica Section C","2009","65","1","m21","m23","10.1107/S0108270108037979","","","0.71069","MoKα","","0.0374","0.0262","","","0.065","0.0682","","","","","","1.09","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016928","8.0903","0.0011","8.0903","0.0011","35.612","0.007","90","","90","","120","","2018.6","0.6","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","bis[μ~3~-1,3,5-triamino-trideoxy-<i>cis</i>-inositolato(3-)]-tri-bismuth(III) trichloride hexahydrate","","- C12 H36 Bi3 Cl3 N6 O12 -","- C12 H34.02 Bi3 Cl3 N6 O12 -","- C36 H102.06 Bi9 Cl9 N18 O36 -","3","0.166667","LN3118","Hegetschweiler, Kaspar; Stucky, Stefan; Morgenstern, Bernd; Neis, Christian; Weyhermüller, Thomas","Redetermination of bis[μ~3~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositolato(3‒)]tribismuth(III) trichloride hexahydrate","Acta Crystallographica Section C","2009","65","1","m1","m3","10.1107/S0108270108039772","","","0.71073","MoKα","","0.0209","0.0208","","","0.0487","0.0487","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016929","10.4704","0.0005","5.4606","0.0003","12.2847","0.0006","90","","106.107","0.003","90","","674.8","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-pyrazine-2,5-dicarboxylato)cadmium(II)]","","- C6 H2 Cd N2 O4 -","- C6 H2 Cd N2 O4 -","- C24 H8 Cd4 N8 O16 -","4","1","LN3119","Yang, Ping; Wu, Jian-Zhong","A three-dimensional pyrazine-2,5-dicarboxylate Cd^II^ coordination framework with new (4,4,4)-connected three-nodal topology","Acta Crystallographica Section C","2009","65","1","m4","m6","10.1107/S0108270108040080","","","0.71073","MoKα","","0.0307","0.0242","","","0.0514","0.0541","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016930","13.4134","0.0003","10.327","0.0003","22.1028","0.0006","90","","101.9","0.001","90","","2995.89","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaquadiethanolmanganese(II)]-μ-1,4- bis(diphenylphosphinoyl)butane-κ^2^O:O'] dinitrate 1,4-bis(diphenylphosphinoyl)butane solvate]","","- C60 H72 Mn N2 O14 P4 -","- C60 H72 Mn N2 O14 P4 -","- C120 H144 Mn2 N4 O28 P8 -","2","0.5","SF3094","Lees, Anthony M. J.; Platt, Andrew W. G.","Manganese(II) and cobalt(II) complexes of 1,4-bis(diphenylphosphinoyl)butane","Acta Crystallographica Section C","2009","65","1","m10","m13","10.1107/S010827010804033X","","","0.71073","MoKα","","0.0608","0.0453","","","0.1051","0.1107","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016931","13.3646","0.0005","10.2517","0.0005","22.0744","0.0011","90","","101.92","0.003","90","","2959.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaquadiethanolcobalt(II)]-μ-1,4- bis(diphenylphosphinoyl)butane-κ^2^O:O'] dinitrate 1,4-bis(diphenylphosphinoyl)butane solvate]","","- C60 H72 Co N2 O14 P4 -","- C60 H72 Co N2 O14 P4 -","- C120 H144 Co2 N4 O28 P8 -","2","0.5","SF3094","Lees, Anthony M. J.; Platt, Andrew W. G.","Manganese(II) and cobalt(II) complexes of 1,4-bis(diphenylphosphinoyl)butane","Acta Crystallographica Section C","2009","65","1","m10","m13","10.1107/S010827010804033X","","","0.71073","MoKα","","0.1071","0.0617","","","0.1201","0.1353","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016932","21.3204","0.0005","8.8456","0.0002","7.8155","0.0002","90","","97.969","0.001","90","","1459.71","0.06","150","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,12-dibromodibenzo[<i>d</i>,<i>i</i>]-1,2,3,6,7,8-hexahydro-1,3-dioxecin","8,16-dibromo-2,4-dioxatricyclo[12.4.0.0^5,10^]octadeca-5,7,9,14,16,18-hexaene","","- C16 H14 Br2 O2 -","- C16 H14 Br2 O2 -","- C64 H56 Br8 O8 -","4","1","SK3262","Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M.","Two similar dibenzo cyclic ethers with dissimilar conformations","Acta Crystallographica Section C","2009","65","1","o27","o30","10.1107/S0108270108040882","","","0.71073","MoKα","","0.0364","0.0262","","","0.0528","0.0563","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016933","13.7971","0.0005","8.5744","0.0003","28.1906","0.001","90","","90","","90","","3335","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,12-dibromodibenzo[<i>f</i>,<i>k</i>]-1,5-dioxa-1,2,3,4,5,8,9,10- octahydrocyclododecene","7,19-dibromo-11,15-dioxatricyclo[14.4.0.0^5,10^]icosaa-5,7,9,16,18,20-hexaene","","- C18 H18 Br2 O2 -","- C18 H18 Br2 O2 -","- C144 H144 Br16 O16 -","8","1","SK3262","Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M.","Two similar dibenzo cyclic ethers with dissimilar conformations","Acta Crystallographica Section C","2009","65","1","o27","o30","10.1107/S0108270108040882","","","0.71073","MoKα","","0.0894","0.0396","","","0.08","0.0997","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016934","12.05","0.0011","7.038","0.0008","15.6547","0.0014","90","","112.559","0.011","90","","1226.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","","- C9 H16 N4 O3 S -","- C9 H16 N4 O3 S -","- C36 H64 N16 O12 S4 -","4","1","SK3272","Shishkina, Svetlana V.; Zubatyuk, Roman I.; Kucherenko, Lyudmila I.; Mazur, Ivan A.; Shishkin, Oleg V.","Two polymorphs of morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","Acta Crystallographica Section C","2009","65","1","o24","o26","10.1107/S0108270108042042","","","0.71073","MoKα","","0.0851","0.0511","","","0.123","0.1429","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016935","9.6912","0.0002","8.3829","0.0002","30.1907","0.0008","90","","90","","90","","2452.7","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","","- C9 H16 N4 O3 S -","- C9 H16 N4 O3 S -","- C72 H128 N32 O24 S8 -","8","1","SK3272","Shishkina, Svetlana V.; Zubatyuk, Roman I.; Kucherenko, Lyudmila I.; Mazur, Ivan A.; Shishkin, Oleg V.","Two polymorphs of morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","Acta Crystallographica Section C","2009","65","1","o24","o26","10.1107/S0108270108042042","","","0.71073","MoKα","","0.0693","0.034","","","0.0755","0.0868","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016936","11.1502","0.0008","8.7271","0.0008","13.7129","0.0013","90","","105.676","0.007","90","","1284.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine","","- C13 H13 Cl N4 O -","- C13 H13 Cl N4 O -","- C52 H52 Cl4 N16 O4 -","4","1","SK3279","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine and 2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine are isostructural and form hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2009","65","1","o11","o14","10.1107/S0108270108040481","","","0.71073","MoKα","","0.0955","0.0507","","","0.1216","0.1548","","","","","","1.135","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016937","11.301","0.004","8.642","0.003","14.568","0.005","90","","111.13","0.03","90","","1327.1","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine,","","- C13 H13 Cl N4 O2 -","- C13 H13 Cl N4 O2 -","- C52 H52 Cl4 N16 O8 -","4","1","SK3279","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine and 2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine are isostructural and form hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2009","65","1","o11","o14","10.1107/S0108270108040481","","","0.71073","MoKα","","0.1079","0.0609","","","0.1217","0.1428","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016938","13.7194","0.0009","6.9464","0.0004","14.9703","0.0009","90","","107.148","0.002","90","","1363.26","0.15","122","2","122","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-Diethyl 2-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4- ylcarbonyl)-5-phenylpyrrolidine-3,4-dicarboxylate","","- C27 H36 N2 O7 S -","- C27 H36 N2 O7 S -","- C54 H72 N4 O14 S2 -","2","1","SK3280","Gainsford, Graeme J.; Mee, Simon P. H.; Luxenburger, Andreas","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-Diethyl 2-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4-ylcarbonyl)-5-phenylpyrrolidine-3,4-dicarboxylate: a novel isomorphous-by-addition compound","Acta Crystallographica Section C","2009","65","1","o15","o18","10.1107/S0108270108040584","","","0.71073","MoKα","","0.0779","0.056","","","0.1384","0.152","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016939","9.127","0.0016","11.403","0.003","25.822","0.002","96.302","0.012","94.287","0.011","105.312","0.014","2561.2","0.9","122","2","122","2","","","","","","","","8","P -1","-P 1","2","bis(4'-(6-Acetylthiohexyloxy)-2,2:6',2''-terpyridine) manganese(II) hexafluorophosphate","Bis[<i>S</i>-6-(2,2:6',2''-terpyridin-4'-yloxy)hexyl thioacetate]manganese(II) bis(hexafluorophosphate)","","- C46 H50 F12 Mn N6 O4 P2 S2 -","- C46 H50 F12 Mn N6 O4 P2 S2 -","- C92 H100 F24 Mn2 N12 O8 P4 S4 -","2","1","SQ3166","Moth-Poulsen, Kasper; Bendix, Jesper; Hammershøj, Peter; Bjørnholm, Thomas","Bis[<i>S</i>-6-(2,2:6',2''-terpyridin-4'-yloxy)hexyl thioacetate]manganese(II) bis(hexafluorophosphate)","Acta Crystallographica Section C","2009","65","1","m14","m16","10.1107/S010827010804016X","","","0.71073","MoKα","","0.1009","0.068","","","0.1606","0.1848","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016940","7.3917","0.0012","16.369","0.003","6.4886","0.0008","90","","90","","90","","785.1","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","titanium(IV) tellurium(IV) trioxide difluoride","","- F2 O3 Te Ti -","- F2 O3 Te Ti -","- F16 O24 Te8 Ti8 -","8","1","SQ3173","Laval, Jean Paul; Jennene Boukharrata, Nefla","New vanadium(IV) and titanium(IV) oxyfluorotellurates(IV): V~2~Te~2~O~7~F~2~ and TiTeO~3~F~2~","Acta Crystallographica Section C","2009","65","1","i1","i6","10.1107/S0108270108036755","","","0.71073","MoKα","","0.0431","0.0322","","","0.0738","0.0784","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016941","4.882","0.002","5.112","0.002","7.243","0.003","108.17","0.03","91.64","0.02","92.63","0.02","171.39","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","divanadium(IV) ditellurium(IV) heptaoxide difluoride","","- F2 O7 Te2 V2 -","- F2 O7 Te2 V2 -","- F2 O7 Te2 V2 -","1","0.5","SQ3173","Laval, Jean Paul; Jennene Boukharrata, Nefla","New vanadium(IV) and titanium(IV) oxyfluorotellurates(IV): V~2~Te~2~O~7~F~2~ and TiTeO~3~F~2~","Acta Crystallographica Section C","2009","65","1","i1","i6","10.1107/S0108270108036755","","","0.71073","MoKα","","0.0173","0.0143","","","0.0283","0.0288","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016942","8.954","0.002","11.371","0.003","17.066","0.004","73.45","0.02","85.55","0.02","74.93","0.02","1608.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[bis{[tris(2-pyridylmethyl)amine]cobalt(II)}- μ~4~-7,7',8,8'-tetracyanoquinodimethanide(2-)] bis[7,7',8,8'-tetracyanoquinodimethanide(1-)] methanol disolvate]","","- C74 H56 Co2 N20 O2 -","- C74 H56 Co2 N20 O2 -","- C74 H56 Co2 N20 O2 -","1","0.5","SQ3174","Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.","Two transition metal coordination polymers of the 7,7,8,8-tetracyanoquinodimethane dianion (TCNQ^2{-^})","Acta Crystallographica Section C","2009","65","1","m28","m32","10.1107/S0108270108041152","","","0.71073","MoKα","","0.088","0.0466","","","0.0974","0.105","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016943","9.4197","0.001","18.2526","0.0018","17.004","0.0018","90","","105.275","0.009","90","","2820.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[[tris(2-pyridylmethyl)amine]iron(II)]-μ~2~- 7,7',8,8'-tetracyanoquinodimethanide(2-)] methanol solvate]","","- C31 H26 Fe N8 O -","- C31 H26 Fe N8 O -","- C124 H104 Fe4 N32 O4 -","4","1","SQ3174","Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.","Two transition metal coordination polymers of the 7,7,8,8-tetracyanoquinodimethane dianion (TCNQ^2{-^})","Acta Crystallographica Section C","2009","65","1","m28","m32","10.1107/S0108270108041152","","","0.71073","MoKα","","0.066","0.0374","","","0.081","0.0859","","","","","","0.84","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016944","5.7287","0.0007","27.517","0.004","11.9206","0.0017","90","","91.881","0.008","90","","1878.1","0.4","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(1<i>RS</i>,3<i>RS</i>)-2,2-dimethyl-3- phenylcyclopropyl][(1<i>SR</i>,3<i>SR</i>)-2,2-dimethyl-3- phenylcyclopropyl]methanone","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","2","BM3069","Edwards, Michael G.; Pugh, David S.; Whitwood, Adrian C.; Taylor, Richard J. K.","<i>gem</i>-Dimethylcyclopropanation of dibenzylideneacetone using triisopropyl sulfoxonium tetrafluoroborate","Acta Crystallographica Section C","2009","65","2","o39","o41","10.1107/S0108270108042431","","","0.71073","MoKα","","0.114","0.0865","","","0.163","0.186","","","","","","1.24","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016945","15.847","0.0002","22.2874","0.0003","22.5446","0.0003","90","","90","","90","","7962.49","0.18","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","poly[[[diaquacopper(II)]-di-μ-4,4'-bipyridyl] bis(3-carboxy-1-benzofuran-2-carboxylate) pentahydrate]","","- C40 H40 Cu N4 O17 -","- C40 H40 Cu N4 O17 -","- C320 H320 Cu8 N32 O136 -","8","1","DN3104","Koner, Rajesh; Goldberg, Israel","Square-grid coordination networks of diaquabis(4,4'-bipyridyl)copper(II) crosslinked by hydrogen bonds through two monoanions of 1-benzofuran-2,3-dicarboxylic acid and five molecules of water","Acta Crystallographica Section C","2009","65","2","m62","m65","10.1107/S0108270109000353","","","0.71073","MoKα","","0.105","0.065","","","0.1827","0.21","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016946","11.312","0.003","10.158","0.003","13.348","0.004","90","","108.004","0.005","90","","1458.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[(μ-pyrazine-2,3-dicarboxylato)(μ-3-carboxypyrazine-2- carboxylato)trisilver(I)]","","- C12 H5 Ag3 N4 O8 -","- C12 H5 Ag3 N4 O8 -","- C48 H20 Ag12 N16 O32 -","4","1","DN3105","Wu, Jian","An unprecedented three-dimensional silver(I) cluster built up from pyrazine-2,3-dicarboxylate ligands","Acta Crystallographica Section C","2009","65","2","m91","m93","10.1107/S0108270109000742","","","0.71073","MoKα","","0.0437","0.0323","","","0.078","0.0817","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016947","9.58016","0.00009","11.33329","0.00013","12.0754","0.00017","78.3429","0.0011","74.6559","0.0011","66.0748","0.001","1149.02","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-(2-hydroxyethyl)pyridinium] μ-decavanadato-bis[pentaaquamanganate(II)] tetrahydrate","","- C14 H48 Mn2 N2 O44 V10 -","- C14 H48 Mn2 N2 O44 V10 -","- C14 H48 Mn2 N2 O44 V10 -","1","0.5","EG3005","Klištincová, Lenka; Rakovský, Erik; Schwendt, Peter","Bis[2-(2-hydroxyethyl)pyridinium] μ-decavanadato-bis[pentaaquamanganate(II)] tetrahydrate","Acta Crystallographica Section C","2009","65","2","m97","m99","10.1107/S0108270109001917","","","0.7107","MoKα","","0.0214","0.0188","","","0.0546","0.0556","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016948","13.7359","0.0011","18.566","0.0016","21.1782","0.0018","90","","90","","90","","5400.9","0.8","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[chloridotris(ethylenediamine-κ^2^N,N')samarium(III) [indium(III)-di-μ-tellurido-indium(III)-di-μ-tellurido]]","","- C8 H32 Cl In2 N8 Sm Te4 -","- C8 H32 Cl In2 N8 Sm Te4 -","- C64 H256 Cl8 In16 N64 Sm8 Te32 -","8","1","EM3020","Li, Chun-Ying; Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Dai, Jie","{[SmCl(en)~4~][In~2~Te~4~]}~<i>n~</i>: an indium telluride with a one-dimensional sinusoidal chain","Acta Crystallographica Section C","2009","65","2","m100","m102","10.1107/S010827010803521X","","","0.71073","MoKα","","0.0654","0.0566","","","0.0985","0.1014","","","","","","1.293","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016949","8.251","0.001","8.251","0.001","22.949","0.003","90","","90","","120","","1353","0.3","296","0.5","296","0.5","","","","","","","","6","R -3 :H","-R 3","148","","poly[bis(dimethylammonium) [hexa-μ~2~-formato-κ^12^<i>O</i>:<i>O</i>'-aluminium(III)sodium(I)]]","","- C10 H22 Al N2 Na O12 -","- C10 H21.9998 Al N1.9998 Na O12 -","- C30 H65.9995 Al3 N5.9994 Na3 O36 -","3","0.166667","EM3021","Plutecka, Agnieszka; Rychlewska, Urszula","A three-dimensional Al^III^/Na^I^ metal‒organic framework resulting from dimethylformamide hydrolysis","Acta Crystallographica Section C","2009","65","2","m75","m77","10.1107/S0108270109000092","","","1.54178","CuKα","","0.0534","0.0338","","","0.0949","0.1044","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016950","16.546","0.003","13.124","0.003","31.942","0.006","90","","100.62","0.03","90","","6817","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,c-3-diphenyltetran-r-1-ol","1,c-3-diphenyl-1,2,3,4-tetrahydro-r-1-naphthol","","- C22 H20 O -","- C22 H20 O -","- C352 H320 O16 -","16","4","FA3170","Vega, Daniel R.; Mufato, Jorge D.; Aguirre, José M.; Drago, Eleonora V.; Lantaño, Beatríz","Tetrameric aggregate of 1,<i>c</i>-3-diphenyltetran-<i>r</i>-1-ol <i>via</i> an <i>R</i>~4~^4^(8) homodromic ring","Acta Crystallographica Section C","2009","65","2","o35","o38","10.1107/S0108270108043655","","","0.71073","MoKα","","0.3549","0.0634","","","0.1319","0.2021","","","","","","0.854","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016951","22.5926","0.0004","11.7646","0.0002","7.2025","0.0011","90","","92.221","0.002","90","","1912.9","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[triaquabis(μ~4~-4-carboxybenzenesulfonato- κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')strontium(II)]","","- C14 H16 O13 S2 Sr -","- C14 H16 O13 S2 Sr -","- C56 H64 O52 S8 Sr4 -","4","1","FA3171","Prochniak, G.; Videnova-Adrabinska, V.","Poly[triaqua(μ~4~-4-carboxybenzenesulfonato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(4-carboxybenzenesulfonato-κ<i>O</i>)strontium(II)]","Acta Crystallographica Section C","2009","65","2","m103","m106","10.1107/S0108270109001590","","","0.71073","MoKα","","0.0555","0.0298","","","0.0478","0.0501","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016952","4.2753","0.0005","9.6013","0.0009","21.614","0.002","90","","95.215","0.009","90","","883.55","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rubidium(I) 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","","- C8 H N4 O2 Rb -","- C8 H N4 O2 Rb -","- C32 H4 N16 O8 Rb4 -","4","1","FA3172","Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Baranov, Andrey N.; Kaisarova, Tatiana V.; Aslanov, Leonid A.","Luminescence properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and alkaline metals (Na, K and Rb)","Acta Crystallographica Section C","2009","65","2","m52","m55","10.1107/S0108270108043783","","","1.54184","CuKα","","0.0303","0.0275","","","0.0702","0.0716","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016953","3.6549","0.0008","10.192","0.0012","14.8401","0.0016","108.849","0.012","94.079","0.012","91.58","0.02","521.09","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","sodium(I) 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate dihydrate","","- C8 H5 N4 Na O4 -","- C8 H5 N4 Na O4 -","- C16 H10 N8 Na2 O8 -","2","1","FA3172","Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Baranov, Andrey N.; Kaisarova, Tatiana V.; Aslanov, Leonid A.","Luminescence properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and alkaline metals (Na, K and Rb)","Acta Crystallographica Section C","2009","65","2","m52","m55","10.1107/S0108270108043783","","","1.54184","CuKα","","0.0807","0.0523","","","0.1266","0.1436","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016954","5.382","0.004","19.375","0.014","11.691","0.009","90","","96.771","0.009","90","","1210.6","1.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly[aqua(4,4'-bipyridine)[μ~3~-<i>S</i>-carboxylatomethyl-<i>N</i>- (<i>p</i>-tosyl)-L-cysteinato]manganese(II)]","","- C22 H23 Mn N3 O7 S2 -","- C22 H23 Mn N3 O7 S2 -","- C44 H46 Mn2 N6 O14 S4 -","2","1","FA3174","Xiong, Wei; Su, Yan; Chen, Zilu; Liang, Fupei","A three-dimensional homochiral metal‒organic framework constructed from manganese(II) with <i>S</i>-carboxymethyl-<i>N</i>-(<i>p</i>-tosyl)-<small>L</small>-cysteine and 4,4'-bipyridine","Acta Crystallographica Section C","2009","65","2","m56","m58","10.1107/S0108270108042637","","","0.71073","MoKα","","0.0726","0.0578","","","0.1531","0.1627","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016955","8.3184","0.0007","20.2887","0.0015","23.822","0.003","90","","90","","90","","4020.4","0.7","156","2","156","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","FG3075","Bats, Jan W.; Kretz, Tonia; Lerner, Hans-Wolfram","A polymorph of tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate","Acta Crystallographica Section C","2009","65","2","m94","m96","10.1107/S0108270109001139","","","0.71073","MoKα","","0.0636","0.0512","","","0.1365","0.1419","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016956","3.8738","0.0005","30.379","0.004","6.3055","0.0001","90","","93.001","0.001","90","","741.03","0.14","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[μ~3~-bromido-(pyridine-3-carboxylato-κN)copper(I)]","","- C6 H5 Br Cu N O2 -","- C6 H5 Br Cu N O2 -","- C24 H20 Br4 Cu4 N4 O8 -","4","1","FN3010","Yang, Ming-Hua","A novel three-dimensional copper(I) coordination polymer constructed from a copper‒bromide net and nicotinic acid ligands","Acta Crystallographica Section C","2009","65","2","m59","m61","10.1107/S0108270108043400","","","0.71073","MoKα","","0.0447","0.0336","","","0.0854","0.0921","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016957","6.9711","0.0014","8.0784","0.0016","11.903","0.002","102.68","0.03","99.68","0.03","96.32","0.03","637.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[μ~2~-1,4-bis(imidazol-1-yl)benzene](μ~2~-terephthalato)dizinc(II)]","","- C14 H9 N2 O4 Zn -","- C14 H9 N2 O4 Zn -","- C28 H18 N4 O8 Zn2 -","2","1","GA3114","Diao, Yun-Peng; Li, Kun; Huang, Shan-Shan; Shu, Xiao-Hong; Liu, Ke-Xin; Deng, Xu-Ming","A novel threefold-interpenetrating primitive cubic network based on a dinuclear Zn~2~ node","Acta Crystallographica Section C","2009","65","2","m82","m85","10.1107/S0108270109000559","","","0.71073","MoKα","","0.0533","0.0431","","","0.0984","0.1032","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016958","8.7128","0.001","17.8408","0.0017","21.227","0.002","67.879","0.001","79.839","0.002","84.962","0.001","3007.9","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[aquatripyridinecobalt(II)]-μ-tetrachloroterephthalato] pyridine solvate]","","- C28 H22 Cl4 Co N4 O5 -","- C28 H22 Cl4 Co N4 O5 -","- C112 H88 Cl16 Co4 N16 O20 -","4","2","GA3116","Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu","Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate","Acta Crystallographica Section C","2009","65","2","m86","m90","10.1107/S0108270109000869","","","0.71073","MoKα","","0.0705","0.0511","","","0.1053","0.1091","","","","","","1.01","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016959","21.4257","0.0019","8.6567","0.0008","33.537","0.003","90","","90","","90","","6220.3","1","291","2","291","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","<i>catena</i>-poly[[[diaquadipyridinecobalt(II)]-μ-tetrachloroterephthalato] 1,4-dioxane trihydrate]","","- C22 H28 Cl4 Co N2 O11 -","- C22 H28 Cl4 Co N2 O11 -","- C176 H224 Cl32 Co8 N16 O88 -","8","1","GA3116","Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu","Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate","Acta Crystallographica Section C","2009","65","2","m86","m90","10.1107/S0108270109000869","","","0.71073","MoKα","","0.0667","0.0433","","","0.0735","0.077","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016960","8.23","0.002","10.927","0.002","11.633","0.003","103.9","0.02","106.62","0.03","96.94","0.02","952.7","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","<i>N</i>-[(1<i>R</i>)-1-(1-naphthyl)ethyl]-3,4-dihydro-2<i>H</i>-1,2-benzothiazin-4-aminium 1,1-dioxide chloride","","- C20 H21 Cl N2 O2 S -","- C20 H21 Cl N2 O2 S -","- C40 H42 Cl2 N4 O4 S2 -","2","2","GD3257","Kiefer, Lionel; Dauban, Philippe; Dodd, Robert H.; Retailleau, Pascal","Two enantiomerically pure cyclic arenesulfonamide hydrochloride salts","Acta Crystallographica Section C","2009","65","2","o46","o50","10.1107/S010827010804287X","","","0.71073","MoKα","","0.0526","0.0393","","","0.0881","0.0954","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016961","15.295","0.004","7.764","0.003","20.264","0.006","90","","100.48","0.02","90","","2366.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1<i>R</i>)-<i>N</i>-[(5,5-dioxo-6,7-dihydrodibenzo[<i>d</i>,<i>f</i>][1,2]\ thiazepin-7-yl)methyl]-1-(1-naphthyl)ethanaminium chloride","","- C26 H25 Cl N2 O2 S -","- C26 H25 Cl N2 O2 S -","- C104 H100 Cl4 N8 O8 S4 -","4","2","GD3257","Kiefer, Lionel; Dauban, Philippe; Dodd, Robert H.; Retailleau, Pascal","Two enantiomerically pure cyclic arenesulfonamide hydrochloride salts","Acta Crystallographica Section C","2009","65","2","o46","o50","10.1107/S010827010804287X","","","0.71069","MoKα","","0.0884","0.0489","","","0.101","0.1182","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016962","8.8808","0.0006","9.5502","0.0006","9.71","0.0006","102.266","0.001","101.733","0.001","94.334","0.001","781.83","0.09","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C17 H16 O8 -","- C17 H16 O8 -","- C34 H32 O16 -","2","1","GD3264","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Two modes of O—H···O hydrogen bonding utilized in dimorphs of racemic 6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2009","65","2","o54","o57","10.1107/S0108270109000225","","","0.71073","MoKα","","0.0594","0.0533","","","0.1451","0.1517","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016963","13.813","0.004","19.279","0.005","5.9801","0.0015","90","","96.665","0.004","90","","1581.7","0.7","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C17 H16 O8 -","- C17 H16 O8 -","- C68 H64 O32 -","4","2","GD3264","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Two modes of O—H···O hydrogen bonding utilized in dimorphs of racemic 6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2009","65","2","o54","o57","10.1107/S0108270109000225","","","0.71073","MoKα","","0.0527","0.0481","","","0.1115","0.114","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016964","12.985","0.0003","9.3038","0.0002","15.6815","0.0003","90","","111.065","0.001","90","","1767.88","0.07","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(trimethoprim) DL-malate","Bis[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium] DL-malate","","- C32 H42 N8 O11 -","- C32 H42 N8 O11 -","- C64 H84 N16 O22 -","2","0.5","GD3265","Franklin, S.; Balasubramanian, T.; Varghese, Babu","Bis[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium] <small>DL</small>-malate","Acta Crystallographica Section C","2009","65","2","o62","o65","10.1107/S0108270109000237","","","0.71073","MoKα","","0.0502","0.045","","","0.1116","0.1146","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016965","15.601","0.001","11.869","0.0009","19.857","0.002","90","","112.139","0.004","90","","3405.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)","","- C42 H35 Cl Ni P2 -","- C42 H35 Cl Ni P2 -","- C168 H140 Cl4 Ni4 P8 -","4","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0494","0.0314","","","0.0681","0.0734","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016966","11.799","0.0005","23.368","0.002","25.13","0.0011","90","","90","","90","","6928.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)","","- C42 H35 Cl Ni P2 -","- C42 H35 Cl Ni P2 -","- C336 H280 Cl8 Ni8 P16 -","8","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0876","0.0415","","","0.0778","0.088","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016967","24.183","0.006","12.257","0.003","23.712","0.005","90","","113.781","0.008","90","","6432","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)‒ chloridobis(triphenylphosphine)nickel(I) (1/1)","","- C78 H65 Cl2 Ni2 P4 -","- C78 H65 Cl2 Ni2 P4 -","- C312 H260 Cl8 Ni8 P16 -","4","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0648","0.0379","","","0.0848","0.0926","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016968","8.8796","0.0002","13.2847","0.0003","14.1395","0.0003","99.82","0.001","100.701","0.001","105.095","0.001","1539.68","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","2-amino-4,6-dimethoxypyrimidinium picrate","2-amino-4,6-dimethoxypyrimidinium 2,4,6-trinitrophenolate","","- C12 H12 N6 O9 -","- C12 H12 N6 O9 -","- C48 H48 N24 O36 -","4","2","GZ3155","Thanigaimani, Kaliyaperumal; Subashini, Annamalai; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium picrate and pyrimethaminium picrate dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","2","o42","o45","10.1107/S0108270108044223","","","0.71073","MoKα","","0.0672","0.0522","","","0.1118","0.1214","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016969","9.3365","0.0003","11.1245","0.0003","13.1861","0.0006","83.779","0.003","86.057","0.003","65.784","0.003","1241.24","0.08","200","","200","","","","","","","","","6","P -1","-P 1","2","Pyrimethaminium picrate dimethyl sulfoxide solvate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4,6-trinitrophenolate dimethyl sulfoxide solvate","","- C20 H22 Cl N7 O8 S -","- C20 H22 Cl N7 O8 S -","- C40 H44 Cl2 N14 O16 S2 -","2","1","GZ3155","Thanigaimani, Kaliyaperumal; Subashini, Annamalai; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium picrate and pyrimethaminium picrate dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","2","o42","o45","10.1107/S0108270108044223","","","0.71073","MoKα","","0.1135","0.0538","","","0.1521","0.1715","","","","","","0.928","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016970","8.7255","0.0008","8.9355","0.0009","10.6564","0.001","68.642","0.002","81.07","0.002","64.314","0.002","697.32","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Triphenylmethylamine","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","GZ3156","Khrustalev, Victor N.; Borisova, Irina V.; Zemlyansky, Nikolai N.; Antipin, M. Yu.","A new polymorph of triphenylmethylamine: the effect of hydrogen bonding","Acta Crystallographica Section C","2009","65","2","o31","o34","10.1107/S0108270108042911","","","0.71073","MoKα","","0.0614","0.051","","","0.1374","0.1461","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016971","13.8556","0.0002","5.38096","0.00007","10.92487","0.00014","90","","97.942","0.001","90","","806.707","0.019","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(acetato-κ^2^O,O')diaquazinc(II)","","- C4 H10 O6 Zn -","- C4 H10 O6 Zn -","- C16 H40 O24 Zn4 -","4","0.5","GZ3157","Lutz, Martin; Spek, Anthony L.","Directed anisotropy in bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquazinc(II) at 110 and 250K","Acta Crystallographica Section C","2009","65","2","m69","m74","10.1107/S0108270108043242","","","0.71073","MoKα","","0.0169","0.0164","","","0.0451","0.0454","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016972","14.2904","0.0005","5.34245","0.00011","10.9616","0.0002","90","","99.59","0.001","90","","825.18","0.04","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(acetato-κ^2^O,O')diaquazinc(II)","","- C4 H10 O6 Zn -","- C4 H10 O6 Zn -","- C16 H40 O24 Zn4 -","4","0.5","GZ3157","Lutz, Martin; Spek, Anthony L.","Directed anisotropy in bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquazinc(II) at 110 and 250K","Acta Crystallographica Section C","2009","65","2","m69","m74","10.1107/S0108270108043242","","","0.71073","MoKα","","0.0219","0.0201","","","0.0547","0.0561","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016973","18.331","0.0008","18.331","0.0008","15.5123","0.0014","90","","90","","90","","5212.5","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]chlorido(pyridine-κ<i>N</i>)palladium(II)","","- C13 H15 Cl N2 Pd -","- C13 H15 Cl N2 Pd -","- C208 H240 Cl16 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.0504","0.0376","","","0.0695","0.0728","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016974","18.5197","0.0009","18.5197","0.0009","15.7281","0.0016","90","","90","","90","","5394.4","0.7","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]bromido(pyridine-κ<i>N</i>)palladium(II)","","- C13 H15 Br N2 Pd -","- C13 H15 Br N2 Pd -","- C208 H240 Br16 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.108","0.0695","","","0.1292","0.1411","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016975","18.5329","0.0013","18.5329","0.0013","18.071","0.003","90","","90","","90","","6206.8","1.2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)-5-bromophenyl- κ^2^<i>C</i>^1^,<i>N</i>]bromido(4-methylpyridine-κ<i>N</i>)palladium(II)","","- C14 H16 Br2 N2 Pd -","- C14 H16 Br2 N2 Pd -","- C224 H256 Br32 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.0819","0.0422","","","0.0717","0.075","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016976","18.8243","0.0009","18.8243","0.0009","18.3193","0.0017","90","","90","","90","","6491.5","0.7","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)-5-bromophenyl- κ^2^<i>C</i>^1^,<i>N</i>]iodido(4-methylpyridine-κ<i>N</i>)palladium(II)","","- C14 H16 Br I N2 Pd -","- C14 H16 Br I N2 Pd -","- C224 H256 Br16 I16 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.0547","0.0318","","","0.0563","0.0592","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016977","12.9315","0.0003","7.1804","0.0002","15.2362","0.0005","90","","113.077","0.001","90","","1301.52","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-methyl-2-thiophenobarbital","5-ethyl-1-methyl-5-phenyl-2-thioxo-1,2-dihydropyrimidine- 4,6(3<i>H</i>,5<i>H</i>)-dione","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0637","0.0445","","","0.101","0.111","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016978","11.5609","0.0003","9.5538","0.0003","11.7268","0.0003","90","","101.521","0.002","90","","1269.13","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-methyl-4-thiophenobarbital","5-ethyl-1-methyl-5-phenyl-4-thioxo-3,4-dihydropyrimidine- 2,6(1<i>H</i>,5<i>H</i>)-dione","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.074","0.0504","","","0.1302","0.1452","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016979","6.96","0.0003","14.9407","0.0007","13.1556","0.001","90","","103.454","0.002","90","","1330.47","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-methyl-2,4-dithiophenobarbital","5-ethyl-1-methyl-5-phenyl-2,4-dithioxo-1,2,3,4-tetrahydropyrimidine- 6(5<i>H</i>)-one","","- C13 H14 N2 O S2 -","- C13 H14 N2 O S2 -","- C52 H56 N8 O4 S8 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0637","0.0462","","","0.1048","0.1142","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016980","13.8686","0.0002","7.2346","0.0004","14.9844","0.0005","90","","110.681","0.001","90","","1406.56","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methyl-2,4,6-trithiophenobarbital","5-ethyl-1-methyl-5-phenyl-2,4,6(1<i>H</i>,3H,5<i>H</i>)-pyrimidinetrithione","","- C13 H14 N2 S3 -","- C13 H14 N2 S3 -","- C52 H56 N8 S12 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0665","0.0478","","","0.1068","0.116","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016981","13.7063","0.0005","7.2553","0.0002","12.6606","0.0004","90","","105.565","0.002","90","","1212.84","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylphenobarbital","5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-\ trione","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0634","0.0509","","","0.1344","0.143","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016982","14.2061","0.0002","13.444","0.0002","14.5341","0.0002","90","","90","","90","","2775.82","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","quinolin-6-ol","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","2","SK3283","Michta, Anna; Nowak, Maria; Kusz, Joachim","Quinolin-6-ol at 100K","Acta Crystallographica Section C","2009","65","2","o66","o69","10.1107/S010827010900047X","","","0.71073","MoKα","","0.0873","0.0439","","","0.0953","0.1017","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016983","9.468","0.004","12.339","0.005","17.817","0.008","90","","97.864","0.006","90","","2061.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ-1,1'-(butane-1,4-diyl)diimidazole-κ^2^<i>N</i>:<i>N</i>']\ (μ-cyclohexane-1,4-dicarboxylato-\ κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)cadmium(II)] hemihydrate]","","- C18 H25 Cd N4 O4.5 -","- C18 H25 Cd N4 O4.5 -","- C72 H100 Cd4 N16 O18 -","4","1","SK3286","Zhou, Shi; Liu, Bo; Li, Chuan-Bi","Poly[[[μ-1,1'-(butane-1,4-diyl)diimidazole-κ^2^<i>N</i>:<i>N</i>'](μ-cyclohexane-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)cadmium(II)] hemihydrate]: a parallel interpenetrating two-dimensional (4,4) network","Acta Crystallographica Section C","2009","65","2","m107","m109","10.1107/S0108270109002674","","","0.71073","MoKα","","0.0422","0.0343","","","0.0772","0.0808","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016984","4.6679","0.0002","15.5897","0.0006","15.769","0.0006","83.76","0.001","89.356","0.001","86.421","0.001","1138.49","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine","","- C22 H38 N4 O4 -","- C22 H38 N4 O4 -","- C44 H76 N8 O8 -","2","1","SK3288","Teng, Gary; Walczak, Christopher P.; Squattrito, Philip J.; Mohanty, Dillip K.; Scharer, William; Giolando, Mark R.; Kirschbaum, Kristin","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine, 4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine and <i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","Acta Crystallographica Section C","2009","65","2","o76","o80","10.1107/S0108270109001619","","","0.71073","MoKα","","0.0525","0.0442","","","0.1117","0.1159","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016985","4.7349","0.0001","15.6273","0.0003","19.7771","0.0003","87.282","0.002","88.549","0.002","87.069","0.002","1459.44","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine","","- C28 H50 N4 O4 -","- C28 H50 N4 O4 -","- C56 H100 N8 O8 -","2","1","SK3288","Teng, Gary; Walczak, Christopher P.; Squattrito, Philip J.; Mohanty, Dillip K.; Scharer, William; Giolando, Mark R.; Kirschbaum, Kristin","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine, 4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine and <i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","Acta Crystallographica Section C","2009","65","2","o76","o80","10.1107/S0108270109001619","","","0.71073","MoKα","","0.0741","0.0578","","","0.1613","0.1757","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016986","4.674","0.0001","25.7389","0.0008","8.9254","0.0003","90","","94.949","0.001","90","","1069.75","0.05","105","2","105","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","","- C20 H24 N6 O8 -","- C20 H24 N6 O8 -","- C40 H48 N12 O16 -","2","0.5","SK3288","Teng, Gary; Walczak, Christopher P.; Squattrito, Philip J.; Mohanty, Dillip K.; Scharer, William; Giolando, Mark R.; Kirschbaum, Kristin","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine, 4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine and <i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","Acta Crystallographica Section C","2009","65","2","o76","o80","10.1107/S0108270109001619","","","0.71073","MoKα","","0.0467","0.0441","","","0.1067","0.1085","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016987","7.2729","0.0017","20.34","0.005","13.608","0.003","90","","103.022","0.003","90","","1961.3","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[silver(I)-μ~3~-3-[4-(2-thienyl)-2<i>H</i>- cyclopenta[<i>d</i>]pyridazin-1-yl]benzonitrile] perchlorate methanol solvate],","","- C19 H15 Ag Cl N3 O5 S -","- C19 H15 Ag Cl N3 O5 S -","- C76 H60 Ag4 Cl4 N12 O20 S4 -","4","1","SQ3178","Li, Xiao-Yan; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","A two-dimensional network formed by self-associating silver(I) perchlorate with 3-[4-(2-thienyl)-2<i>H</i>-cyclopenta[<i>d</i>]pyridazin-1-yl]benzonitrile","Acta Crystallographica Section C","2009","65","2","m45","m47","10.1107/S0108270108043643","","","0.71073","MoKα","","0.0811","0.0651","","","0.1684","0.1813","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016988","11.092","0.004","11.165","0.004","18.426","0.007","90","","92.699","0.006","90","","2279.4","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{μ-3,3'-[1,3,4-thiadiazole-2,5- diyldi(thiomethylene)]dibenzoato}bis[(<i>N</i>,<i>N</i>- dimethylformamide)copper(II)]","","- C42 H38 Cu2 N6 O10 S6 -","- C42 H38 Cu2 N6 O10 S6 -","- C84 H76 Cu4 N12 O20 S12 -","2","0.5","SQ3180","Wang, Ping; Ma, Jian-Ping; Li, Xiao-Yan; Huang, Ru-Qi; Dong, Yu-Bin","Two bicyclic dinuclear complexes generated from 3,3'-[1,3,4-thiadiazole-2,5-diyldi(thiomethylene)]dibenzoic acid (<i>L</i>) and dimethylformamide (DMF): [Cu(<i>L</i>)(DMF)]~2~ and [Zn(<i>L</i>)(DMF)]~2~","Acta Crystallographica Section C","2009","65","2","m78","m81","10.1107/S0108270108043667","","","0.71073","MoKα","","0.108","0.0713","","","0.1672","0.1863","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016989","11.086","0.0013","11.2252","0.0013","18.44","0.002","90","","93.169","0.002","90","","2291.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{μ-3,3'-[1,3,4-thiadiazole-2,5- diyldi(thiomethylene)]dibenzoato}bis[(<i>N</i>,<i>N</i>- dimethylformamide)zinc(II)]","","- C42 H38 N6 O10 S6 Zn2 -","- C42 H38 N6 O10 S6 Zn2 -","- C84 H76 N12 O20 S12 Zn4 -","2","0.5","SQ3180","Wang, Ping; Ma, Jian-Ping; Li, Xiao-Yan; Huang, Ru-Qi; Dong, Yu-Bin","Two bicyclic dinuclear complexes generated from 3,3'-[1,3,4-thiadiazole-2,5-diyldi(thiomethylene)]dibenzoic acid (<i>L</i>) and dimethylformamide (DMF): [Cu(<i>L</i>)(DMF)]~2~ and [Zn(<i>L</i>)(DMF)]~2~","Acta Crystallographica Section C","2009","65","2","m78","m81","10.1107/S0108270108043667","","","0.71073","MoKα","","0.0348","0.0315","","","0.0814","0.0835","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016990","5.977","0.003","8.052","0.004","13.091","0.006","101.516","0.006","96.291","0.006","96.612","0.006","607.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","poly[μ~2~-aqua-μ~2~-chlorido-{m~2~-4-[(1H-1,2,4-triazol-1- yl)methyl]benzoato}cadmium(II)]","","- C10 H10 Cd Cl N3 O3 -","- C10 H10 Cd Cl N3 O3 -","- C20 H20 Cd2 Cl2 N6 O6 -","2","1","SQ3183","Qin, Jie; Ma, Jian-Ping; Liu, Li-Li; Huang, Ru-Qi; Dong, Yu-Bin","A novel two-dimensional framework based on unprecedented cadmium(II) chains","Acta Crystallographica Section C","2009","65","2","m66","m68","10.1107/S0108270109000341","","","0.71073","MoKα","","0.0342","0.0329","","","0.104","0.1054","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016991","5.3777","0.0003","10.0563","0.0007","22.4243","0.0012","90","","90","","90","","1212.7","0.13","273","","273","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-hydroxyquinolinium hydrogen maleate","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","SU3028","Franklin, S.; Balasubramanian, T.","Salts of maleic and fumaric acids with oxine: the role of isomeric acids in hydrogen-bonding patterns","Acta Crystallographica Section C","2009","65","2","o58","o61","10.1107/S0108270108044132","","","0.71073","MoKα","","0.0771","0.053","","","0.121","0.1337","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016992","7.3282","0.0003","7.4363","0.0003","11.568","0.0005","79.349","0.002","74.994","0.002","89.337","0.002","597.97","0.04","273","","273","","","","","","","","","4","P -1","-P 1","2","","8-hydroxyquinolinium hydrogen fumarate","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C26 H22 N2 O10 -","2","1","SU3028","Franklin, S.; Balasubramanian, T.","Salts of maleic and fumaric acids with oxine: the role of isomeric acids in hydrogen-bonding patterns","Acta Crystallographica Section C","2009","65","2","o58","o61","10.1107/S0108270108044132","","","0.71073","MoKα","","0.0756","0.0467","","","0.1275","0.1524","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016993","5.4296","0.0005","8.2995","0.0007","12.7083","0.0011","85.961","0.002","88.895","0.002","89.573","0.001","571.13","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bisimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate)","","- C20 H18 N4 O12 S2 -","- C20 H18 N4 O12 S2 -","- C20 H18 N4 O12 S2 -","1","0.5","TR3049","Zhou, Chun-Shan; Ding, Li-Li; Zhang, Hang; Cao, Min-Na; Meng, Xiang-Gao","Three-dimensional networks in the 1:2 organic salts 2,2'-biimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) and 2,2'-bibenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate","Acta Crystallographica Section C","2009","65","2","o51","o53","10.1107/S010827010804300X","","","0.71073","Mokα","","0.0701","0.0464","","","0.113","0.1459","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016994","25.0519","0.0009","7.3158","0.0003","17.0309","0.0006","90","","97.553","0.003","90","","3094.3","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-bisbenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate","","- C28 H28 N4 O15 S2 -","- C28 H28 N4 O15 S2 -","- C112 H112 N16 O60 S8 -","4","0.5","TR3049","Zhou, Chun-Shan; Ding, Li-Li; Zhang, Hang; Cao, Min-Na; Meng, Xiang-Gao","Three-dimensional networks in the 1:2 organic salts 2,2'-biimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) and 2,2'-bibenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate","Acta Crystallographica Section C","2009","65","2","o51","o53","10.1107/S010827010804300X","","","0.71073","Mokα","","0.0483","0.0392","","","0.1099","0.1183","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016995","7.1577","0.001","7.1577","0.001","3.9166","0.0008","90","","90","","90","","200.66","0.06","293","2","293","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Scandium magnesium gallide","","- Ga2 Mg Sc2 -","- Ga2 Mg Sc2 -","- Ga4 Mg2 Sc4 -","2","0.125","BD3001","Sahlberg, Martin; Andersson, Yvonne","Sc~2~MgGa~2~ and Y~2~MgGa~2~","Acta Crystallographica Section C","2009","65","3","i7","i8","10.1107/S0108270109000766","","","0.71073","MoKα","","0.036","0.0279","","","0.0668","0.0689","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016996","6.9999","0.0003","9.3318","0.0004","14.2802","0.0012","85.341","0.011","84.805","0.011","75.127","0.009","896.22","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[(μ-3,5-di-3-pyridyl-1,2,4-triazole)tri-μ~3~-oxido-tetra-μ~2~-oxido- oxidodicobalt(II)dimolybdenum(VI)] monohydrate]","","- C12 H11 Co2 Mo2 N5 O9 -","- C12 H11 Co2 Mo2 N5 O9 -","- C24 H22 Co4 Mo4 N10 O18 -","2","1","BM3071","Zhai, Quan-Guo; Li, Shu-Ni; Hu, Man-Cheng; Jiang, Yu-Cheng","A three-dimensional hybrid framework based on novel [Co~4~Mo~4~] bimetallic oxide clusters with 3,5-bis(3-pyridyl)-1,2,4-triazole ligands","Acta Crystallographica Section C","2009","65","3","m128","m130","10.1107/S0108270109003813","","","0.71073","MoKα","","0.0492","0.0386","","","0.0886","0.0973","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016997","10.478","0.003","11.6064","0.0011","9.59","0.003","90","","103.06","0.02","90","","1136.1","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(4'-cyanobiphenyl-4-yl) butanedioate","","- C30 H20 N2 O4 -","- C30 H20 N2 O4 -","- C60 H40 N4 O8 -","2","0.5","EG3008","Hori, Kayako; Kouno, Naomi","Two crystal forms of mesogenic bis(4'-cyanobiphenyl-4-yl) butanedioate","Acta Crystallographica Section C","2009","65","3","o108","o110","10.1107/S0108270109004041","","","1.54178","CuKα","","0.0484","0.0472","","","0.1271","0.1281","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016998","9.9235","0.0011","8.7879","0.001","13.4152","0.0017","90","","97.452","0.01","90","","1160","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(4'-cyanobiphenyl-4-yl) butanedioate","","- C30 H20 N2 O4 -","- C30 H20 N2 O4 -","- C60 H40 N4 O8 -","2","0.5","EG3008","Hori, Kayako; Kouno, Naomi","Two crystal forms of mesogenic bis(4'-cyanobiphenyl-4-yl) butanedioate","Acta Crystallographica Section C","2009","65","3","o108","o110","10.1107/S0108270109004041","","","1.54178","CuKα","","0.04","0.0371","","","0.102","0.1046","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016999","19.1006","0.0014","19.1006","0.0014","7.2128","0.0004","90","","90","","90","","2631.5","0.3","298","2","298","2","","","","","","","","3","P 43","P 4cw","78","Lupeol","3β-lup-20(29)-en-3-ol","","- C30 H50 O -","- C30 H50 O -","- C120 H200 O4 -","4","1","EM3022","Corrêa, Rodrigo S.; Coelho, Carla P.; dos Santos, Marcelo H.; Ellena, Javier; Doriguetto, Antônio C.","Lupeol","Acta Crystallographica Section C","2009","65","3","o97","o99","10.1107/S0108270109004910","","","0.71073","MoKα","","","0.0449","","","","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017000","21.7002","0.0011","7.7859","0.0005","19.645","0.0009","90","","97.77","0.004","90","","3288.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[deca-μ~2~-cyanido-dicyanidobis(μ~2~- ethylenediamine)bis(ethylenediamine)tricadmium(II)dicobalt(III)]","","- C20 H32 Cd3 Co2 N20 -","- C20 H32 Cd3 Co2 N20 -","- C80 H128 Cd12 Co8 N80 -","4","0.5","FA3180","Sereda, Olha; Stoeckli-Evans, Helen","Poly[deca-μ~2~-cyanido-dicyanidobis(μ~2~-ethylenediamine)bis(ethylenediamine)tricadmium(II)dicobalt(III)]: a two-dimensional coordination polymer","Acta Crystallographica Section C","2009","65","3","m118","m120","10.1107/S0108270109003709","","","0.71073","MoKα","","0.0208","0.0181","","","0.0429","0.0438","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017001","9.776","0.002","8.332","0.0017","10.003","0.002","90","","115.08","0.03","90","","738","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(diaminomethylene)thiouron-1-ium nitrate","","- C2 H7 N5 O3 S -","- C2 H7 N5 O3 S -","- C8 H28 N20 O12 S4 -","4","1","FG3078","Janczak, Jan; Perpétuo, Genivaldo Julio","Two-dimensional hydrogen-bonded networks in 1-(diaminomethylene)thiouron-1-ium nitrate and bis[1-(diaminomethylene)thiouron-1-ium] phosphonate monohydrate","Acta Crystallographica Section C","2009","65","3","o118","o120","10.1107/S0108270109006325","","","0.71073","MoKα","","0.0531","0.0324","","","0.0789","0.0867","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017002","7.6109","0.0012","7.8771","0.0014","12.758","0.002","72.7","0.016","72.961","0.015","85.842","0.014","698.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis[1-(diaminomethylene)thiouron-1-ium] phosphonate monohydrate","","- C4 H17 N8 O4 P S2 -","- C4 H17 N8 O4 P S2 -","- C8 H34 N16 O8 P2 S4 -","2","1","FG3078","Janczak, Jan; Perpétuo, Genivaldo Julio","Two-dimensional hydrogen-bonded networks in 1-(diaminomethylene)thiouron-1-ium nitrate and bis[1-(diaminomethylene)thiouron-1-ium] phosphonate monohydrate","Acta Crystallographica Section C","2009","65","3","o118","o120","10.1107/S0108270109006325","","","0.71073","MoKα","","0.0965","0.0473","","","0.0795","0.0885","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017003","10.114","0.003","11.289","0.004","21.103","0.009","90","","90","","90","","2409.5","1.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Lupulin D","15α-methoxydihydroclerodin","","- C25 H38 O8 -","- C25 H38 O8 -","- C100 H152 O32 -","4","1","FG9000","Molins, Elies; Coll, Josep","Lupulin structures revisited","Acta Crystallographica Section C","2009","65","3","e11","e12","10.1107/S0108270108000309","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017004","25.43","0.007","7.769","0.002","8.656","0.002","90","","96.187","0.005","90","","1700.2","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4'-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","GD3269","Montani, Rosana S.; Garay, Raúl O.; Cukiernik, Fabio D.; Garland, Maria T.; Baggio, Ricardo","4'-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid: correlation between its crystalline and smectic phases","Acta Crystallographica Section C","2009","65","3","o81","o84","10.1107/S0108270109001991","","","0.71073","MoKα","","0.1058","0.0627","","","0.1649","0.191","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017005","6.9738","0.0004","9.4413","0.0004","10.89","0.0007","97.42","0.004","100.527","0.005","109.473","0.005","650.51","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","2-aminopyrimidinium hydrogen 4,5-dichlorophthalate","2-aminopyrimidininium 2-carboxy-4,5-dichlorobenzoate","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C24 H18 Cl4 N6 O8 -","2","1","GD3270","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide","Acta Crystallographica Section C","2009","65","3","o103","o107","10.1107/S0108270109004405","","","1.54184","CuKα","","0.0362","0.0331","","","0.0929","0.0946","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017006","11.4303","0.0003","13.7933","0.0003","9.2082","0.0002","90","","99.454","0.002","90","","1432.06","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","nicotinamidium hydrogen 4,5-dichlorophthalate","3-(aminocarbonyl)pyridinium 2-carboxy-4,5-dichlorobenzoate","","- C14 H10 Cl2 N2 O5 -","- C14 H10 Cl2 N2 O5 -","- C56 H40 Cl8 N8 O20 -","4","1","GD3270","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide","Acta Crystallographica Section C","2009","65","3","o103","o107","10.1107/S0108270109004405","","","1.54184","CuKα","","0.0448","0.035","","","0.0915","0.095","","","","","","0.956","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017007","11.9645","0.0004","26.1393","0.0006","9.3213","0.0003","90","","122.509","0.003","90","","2458.39","0.15","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","isonicotinamidinium hydrogen 4,5-dichlorophthalate methyl 4,5-dichlorophthalic acid adduct","4-(aminocarbonyl)pyridinium 2-carboxy-4,5-dichlorobenzoate‒ methyl 2-carboxy-4,5-dichlorobenzoate (1/1)","","- C23 H16 Cl4 N2 O9 -","- C23 H16 Cl4 N2 O9 -","- C92 H64 Cl16 N8 O36 -","4","1","GD3270","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide","Acta Crystallographica Section C","2009","65","3","o103","o107","10.1107/S0108270109004405","","","1.54178","CuKα","","0.0525","0.0464","","","0.123","0.128","","","","","","0.966","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017008","37.632","0.006","6.52","0.001","14.431","0.003","90","","109.82","0.01","90","","3331.1","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-hydroxyanilinium) selenate(VI) dihydrate","","- C12 H20 N2 O8 Se -","- C12 H20 N2 O8 Se -","- C96 H160 N16 O64 Se8 -","8","1","GD3275","Janczak, Jan; Perpétuo, Genivaldo Julio","A three-dimensional hydrogen-bonded network in bis(4-hydroxyanilinium) selenate(VI) dihydrate","Acta Crystallographica Section C","2009","65","3","o121","o122","10.1107/S0108270109005782","","","0.71073","MoKα","","0.0427","0.023","","","0.0445","0.0507","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017009","11.0295","0.0002","13.8207","0.0002","14.1529","0.0003","90","","90.2383","0.0007","90","","2157.38","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5,10,15,20-tetra-4-pyridylporphyrinato)zinc(II) 1,2-dichlorobenzene disolvate","","- C52 H32 Cl4 N8 Zn -","- C52 H32 Cl4 N8 Zn -","- C104 H64 Cl8 N16 Zn2 -","2","0.5","GD3276","Koner, Rajesh; Goldberg, Israel","Square-grid coordination networks of (5,10,15,20-tetra-4-pyridylporphyrinato)zinc(II) in its clathrate with two guest molecules of 1,2-dichlorobenzene: supramolecular isomerism of the porphyrin self-assembly","Acta Crystallographica Section C","2009","65","3","m139","m142","10.1107/S0108270109005691","","","0.71073","MoKα","","0.0627","0.0444","","","0.106","0.1163","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017010","10.3466","0.0013","7.488","0.003","13.227","0.009","90","","92.94","0.02","90","","1023.4","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","GG3188","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine and its 7-fluoro and 7-chloro analogues are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2009","65","3","o92","o96","10.1107/S0108270109003370","","","0.71073","MoKα","","0.0934","0.0526","","","0.0961","0.1118","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017011","10.5258","0.0013","7.4501","0.0013","13.251","0.002","90","","93.441","0.002","90","","1037.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-fluoro-4-hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine","","- C12 H14 F N O -","- C12 H14 F N O -","- C48 H56 F4 N4 O4 -","4","1","GG3188","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine and its 7-fluoro and 7-chloro analogues are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2009","65","3","o92","o96","10.1107/S0108270109003370","","","0.71073","MoKα","","0.0784","0.0561","","","0.1017","0.1128","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017012","11.085","0.0007","7.4214","0.001","13.4588","0.0011","90","","94.721","0.008","90","","1103.45","0.19","120","1","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-chloro-4-hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine","","- C12 H14 Cl N O -","- C12 H14 Cl N O -","- C48 H56 Cl4 N4 O4 -","4","1","GG3188","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine and its 7-fluoro and 7-chloro analogues are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2009","65","3","o92","o96","10.1107/S0108270109003370","","","0.71073","MoKα","","0.0931","0.0509","","","0.1136","0.1413","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017013","16.1168","0.0002","17.1119","0.0002","7.68115","0.00007","90","","90","","90","","2118.38","0.04","298","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","","- C7 H10 Ag I N2 -","- C7 H10 Ag I N2 -","- C56 H80 Ag8 I8 N16 -","8","1","GT3002","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Powder study of poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","Acta Crystallographica Section C","2009","65","3","m135","m138","10.1107/S0108270109004661","","","1.5406","CuKα1","","","","","","","","","","1.24","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017014","24.5935","0.0005","7.0351","0.0001","24.9875","0.0004","90","","105.116","0.0011","90","","4173.69","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C192 H240 N16 O24 -","8","2","SF3097","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate and 3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate: C—H···π and π‒π intermolecular interactions","Acta Crystallographica Section C","2009","65","3","o88","o91","10.1107/S0108270109003278","","","0.71073","MoKα","","0.0783","0.0419","","","0.0875","0.1021","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017015","6.5828","0.0002","12.3368","0.0005","26.4702","0.001","90","","90","","90","","2149.66","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate","","- C24 H34 N2 O3 -","- C24 H34 N2 O3 -","- C96 H136 N8 O12 -","4","1","SF3097","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate and 3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate: C—H···π and π‒π intermolecular interactions","Acta Crystallographica Section C","2009","65","3","o88","o91","10.1107/S0108270109003278","","","0.71073","MoKα","","0.082","0.0458","","","0.1216","0.1435","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017016","9.5507","0.0019","12.598","0.003","17.582","0.004","71.6","0.03","82.32","0.03","68.39","0.03","1865.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(2,2'-bipyridine)-μ~4~-itaconato-di-μ~3~-itaconato-digadolinium(III)] tetrahydrate]","","- C35 H36 Gd2 N4 O16 -","- C35 H28 Gd2 N4 O16 -","- C70 H56 Gd4 N8 O32 -","2","1","SK3282","Muñoz, Juan Carlos; Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three lanthanide complexes derived from itaconic acid and 2,2'-bipyridine","Acta Crystallographica Section C","2009","65","3","m121","m127","10.1107/S0108270109002534","","","0.71073","MoKα","","0.0914","0.0748","","","0.1928","0.2043","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017017","16.427","0.005","18.645","0.005","9.3","0.003","90","","94.949","0.006","90","","2837.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(2,2'-bipyridine)di-μ~3~-itaconato-μ~2~-itaconato- digadolinium(III)]","","- C25 H24 Gd2 N2 O14 -","- C25 H18 Gd2 N2 O14 -","- C100 H72 Gd8 N8 O56 -","4","0.5","SK3282","Muñoz, Juan Carlos; Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three lanthanide complexes derived from itaconic acid and 2,2'-bipyridine","Acta Crystallographica Section C","2009","65","3","m121","m127","10.1107/S0108270109002534","","","0.71073","MoKα","","0.0791","0.0662","","","0.1381","0.1445","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017018","25.023","0.005","9.3994","0.0019","18.229","0.004","90","","114.13","0.03","90","","3912.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[bis(2,2'-bipyridine)-μ~4~-itaconato-di-μ~3~-itaconato-diholmium(III)] dihydrate]","","- C35 H32 Ho2 N4 O14 -","- C35 H24 Ho2 N4 O14 -","- C140 H96 Ho8 N16 O56 -","4","0.5","SK3282","Muñoz, Juan Carlos; Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three lanthanide complexes derived from itaconic acid and 2,2'-bipyridine","Acta Crystallographica Section C","2009","65","3","m121","m127","10.1107/S0108270109002534","","","0.71073","MoKα","","0.0854","0.0788","","","0.2169","0.2232","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017019","10.9622","0.0001","11.133","0.0002","11.2876","0.0002","67.072","0.001","69.842","0.001","72.688","0.001","1169.57","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis[μ~3~-<i>cis</i>-<i>N</i>-(2-aminopropyl)-<i>N</i>'-(2- carboxylatophenyl)oxamidato(3-)]-1:2:4κ^7^<i>N</i>,<i>N</i>',<i>N</i>'', <i>O</i>:<i>O</i>',<i>O</i>"":<i>O</i>''';2:4:3κ^7^<i>O</i>''':<i>O</i>', <i>O</i>"":<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>-bis(2,2'-bipyridine)- 2κ^2^<i>N</i>,<i>N</i>';4κ^2^<i>N</i>,<i>N</i>'-dichlorido-1κCl,3κCl- tetracopper(II) dihydrate","","- C44 H44 Cl2 Cu4 N10 O10 -","- C44 H44 Cl2 Cu4 N10 O10 -","- C44 H44 Cl2 Cu4 N10 O10 -","1","0.5","SK3285","Gu, Yuan-Yuan; Li, Yan-Tuan; Wu, Zhi-Yong; Sun, Wei; Jiang, Man","Bis[μ~3~-<i>cis</i>-<i>N</i>-(2-aminopropyl)-<i>N</i>'-(2-carboxylatophenyl)oxamidato(3‒)]bis(2,2'-bipyridine)dichloridotetracopper(II) dihydrate","Acta Crystallographica Section C","2009","65","3","m115","m117","10.1107/S0108270109002571","","","0.71073","MoKα","","0.0498","0.0354","","","0.0884","0.0982","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017020","8.0386","0.0008","10.6862","0.0014","12.8856","0.0013","71.007","0.011","74.463","0.009","88.672","0.012","1005.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-amino-6-anilino-4-methoxy-5-[(E)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C40 H44 N12 O8 S2 -","2","1","SK3294","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in the isomeric solvates 2-amino-6-anilino-4-methoxy-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate and 2-amino-6-[methyl(phenyl)amino]-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidin-4(3<i>H</i>)-one dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","3","o111","o114","10.1107/S0108270109004181","","","0.71073","MoKα","","0.1334","0.0569","","","0.1188","0.1544","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017021","10.2601","0.0008","10.4555","0.0006","11.4537","0.0014","113.23","0.007","112.295","0.008","96.709","0.008","992","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-amino-6-[methyl(phenyl)amino]-5-[(E)-4-nitrobenzylideneamino]pyrimidin- 4(3<i>H</i>)-one dimethyl sulfoxide solvate","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C40 H44 N12 O8 S2 -","2","1","SK3294","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in the isomeric solvates 2-amino-6-anilino-4-methoxy-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate and 2-amino-6-[methyl(phenyl)amino]-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidin-4(3<i>H</i>)-one dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","3","o111","o114","10.1107/S0108270109004181","","","0.71073","MoKα","","0.1099","0.0566","","","0.1311","0.1609","","","","","","1.065","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2017022","14.03","0.002","19.121","0.003","4.624","0.0008","90","","90","","90","","1240.5","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole dihydrate","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","SQ3184","Qi, De-Qiang; Hou, Gui-Ge; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","A novel three-dimensional framework constructed by 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and infinite chains of hydrogen-bonded water molecules","Acta Crystallographica Section C","2009","65","3","o85","o87","10.1107/S0108270109001814","","","0.71073","MoKα","","0.0433","0.0354","","","0.0763","0.0791","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017023","7.6395","0.0019","10.591","0.002","12.122","0.002","90","","105.4","0.02","90","","945.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(η^5^-carboxycyclopentadienyl)dinitrosylchromium(0)","","- C6 H5 Br Cr N2 O4 -","- C6 H5 Br Cr N2 O4 -","- C24 H20 Br4 Cr4 N8 O16 -","4","1","TR3052","Wang, Yu-Pin; Leu, Hsien-Li; Lin, Tso-Shen; Wang, Yu; Lee, Gene-Hsiang","<!?tlsb=-0.06pt>Bromido(η^5^-carboxycyclopentadienyl)dinitrosylchromium(0) and (η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)","Acta Crystallographica Section C","2009","65","3","m131","m134","10.1107/S0108270109001851","","","0.71073","MoKα","","0.0724","0.033","","","0.0883","0.1","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017024","12.1936","0.0013","6.5027","0.0009","16.305","0.002","90","","95.731","0.01","90","","1286.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)","","- C12 H9 Br Cr N2 O3 -","- C12 H9 Br Cr N2 O3 -","- C48 H36 Br4 Cr4 N8 O12 -","4","1","TR3052","Wang, Yu-Pin; Leu, Hsien-Li; Lin, Tso-Shen; Wang, Yu; Lee, Gene-Hsiang","<!?tlsb=-0.06pt>Bromido(η^5^-carboxycyclopentadienyl)dinitrosylchromium(0) and (η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)","Acta Crystallographica Section C","2009","65","3","m131","m134","10.1107/S0108270109001851","","","0.71073","MoKα","","0.0771","0.0374","","","0.1172","0.1297","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017025","17.549","0.003","7.0981","0.001","10.9242","0.0019","90","","90","","90","","1360.8","0.4","100","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","<i>N</i>^1^-(2'-deoxyribofuranoside) of 3-iodo-5-nitroindole","1-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-3-iodo-5-nitro-1<i>H</i>-indole","","- C13 H13 I N2 O5 -","- C13 H13 I N2 O5 -","- C52 H52 I4 N8 O20 -","4","1","TR3054","Budow, Simone; Leonard, Peter; Eickmeier, Henning; Reuter, Hans; Seela, Frank","The <i>N</i>^1^-(2'-deoxyribofuranoside) of 3-iodo-5-nitroindole: a universal nucleoside forming nitro‒iodo interactions","Acta Crystallographica Section C","2009","65","3","o100","o102","10.1107/S0108270109004673","","","0.71073","MoKα","","0.0191","0.0171","","","0.0334","0.0341","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017026","12.979","0.0008","18.0643","0.0011","14.1838","0.0008","90","","90.682","0.002","90","","3325.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^3^,<i>N</i>^6^,2,5,7-Pentaphenyl-2,5,7-triazabicyclo[2,2,1]heptane- 3,6-diamine xylene solvate","","- C42 H41 N5 -","- C42 H41 N5 -","- C168 H164 N20 -","4","1","UK3005","Taheri, Amir; Moosavi, Sayed Mojtaba","Anomeric effect for a 2,5,7-triazabicyclo[2.2.1]heptane derivative","Acta Crystallographica Section C","2009","65","3","o115","o117","10.1107/S0108270109004818","","","0.71073","MoKα","","0.0871","0.0473","","","0.1075","0.125","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017027","46.383","0.003","10.3975","0.0006","17.3531","0.0012","90","","104.133","0.004","90","","8115.5","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di-μ~3~-chlorido-di-μ~3~-hydroxido-tetrakis[(η^3^- allyl)dicarbonylmolybdenum(II)]‒9-fluorenone‒tetrahydrofuran (1/1/1)","","- C37 H38 Cl2 Mo4 O12 -","- C37 H38 Cl2 Mo4 O12 -","- C296 H304 Cl16 Mo32 O96 -","8","1","BG3094","Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Mo~4~(η^3^-allyl)~4~Cl~2~(OH)~2~(CO)~8~: the first cubane-type Mo^2+^ organometallic complex with μ~3~-OH and μ~3~-Cl bridges","Acta Crystallographica Section C","2009","65","4","m168","m170","10.1107/S0108270109009512","","","0.71073","MoKα","","0.0852","0.0427","","","0.0704","0.0813","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017028","11.5921","0.0002","11.8471","0.0002","16.5666","0.0007","90","","90.084","0.001","90","","2275.13","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Manganese squarate hexahydrate","poly[[[hexaaquatrimanganese(II)]-tri-μ-squarato] monohydrate]","","- C12 H14 Mn3 O19 -","- C12 H12 Mn3 O18 -","- C48 H48 Mn12 O72 -","4","0.5","DN3102","Gavilan, Elisabeth; Audebrand, Nathalie","A monoclinic pseudopolymorph of manganese squarate dihydrate, Mn(μ-C~4~O~4~)(H~2~O)~2~, built from cubic units","Acta Crystallographica Section C","2009","65","4","m156","m159","10.1107/S0108270109004442","","","0.71073","MoKα","","0.0702","0.0377","","","0.0913","0.1015","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017029","5.1896","0.0002","12.1755","0.0004","23.6534","0.0008","90","","90","","90","","1494.56","0.09","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","175-25 no.1","(<i>R</i>~C~,<i>S</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-\ <i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","","- C12 H19 N4 O P S -","- C12 H19 N4 O P S -","- C48 H76 N16 O4 P4 S4 -","4","1","EM3024","Guo, Lilu; Thompson, Charles M.; Twamley, Brendan","Diastereomers (<i>R</i>~C~,<i>S</i>~P~)- and (<i>R</i>~C~,<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-<i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","Acta Crystallographica Section C","2009","65","4","o179","o182","10.1107/S0108270109009792","","","0.71073","MoKα","","0.0286","0.0273","","","0.0638","0.0648","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017030","5.4509","0.0003","12.0987","0.0006","22.2882","0.0011","90","","90","","90","","1469.88","0.13","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","4-161 no.2","(<i>R</i>~C~<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-\ <i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","","- C12 H19 N4 O P S -","- C12 H19 N4 O P S -","- C48 H76 N16 O4 P4 S4 -","4","1","EM3024","Guo, Lilu; Thompson, Charles M.; Twamley, Brendan","Diastereomers (<i>R</i>~C~,<i>S</i>~P~)- and (<i>R</i>~C~,<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-<i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","Acta Crystallographica Section C","2009","65","4","o179","o182","10.1107/S0108270109009792","","","0.71073","MoKα","","0.0555","0.0412","","","0.0828","0.0891","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017031","6.9953","0.0005","7.9221","0.0007","12.514","0.0013","93.466","0.004","92.993","0.006","101.152","0.006","677.71","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,3-dimethyl-7-(4-methylphenyl)pyrido[2,3-<i>d</i>]pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C32 H30 N6 O4 -","2","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.1272","0.0648","","","0.1614","0.1997","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017032","7.2314","0.0005","17.5834","0.0018","12.4864","0.0015","90","","97.782","0.008","90","","1573.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(biphenyl-4-yl)-1,3-dimethylpyrido[2,3-<i>d</i>]pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.1569","0.0727","","","0.1797","0.2436","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017033","6.7658","0.0008","12.978","0.002","13.162","0.002","90","","90","","90","","1155.7","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-(4-fluorophenyl)-3-methylpyrido[2,3-<i>d</i>]pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C14 H10 F N3 O2 -","- C14 H10 F N3 O2 -","- C56 H40 F4 N12 O8 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.1472","0.0641","","","0.1266","0.1552","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017034","6.6312","0.0011","6.8121","0.0015","27.653","0.007","90","","90","","90","","1249.2","0.5","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.0729","0.0566","","","0.1363","0.1472","","","","","","1.141","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017035","15.663","0.005","4.4319","0.0014","18.221","0.004","90","","124.517","0.018","90","","1042.2","0.6","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2,2'-biimidazol-1-ium malonate","","- C9 H10 N4 O4 -","- C9 H10 N4 O4 -","- C36 H40 N16 O16 -","4","1","FG3076","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds","Acta Crystallographica Section C","2009","65","4","o123","o127","10.1107/S0108270109005836","","","0.71073","MoKα","","0.0471","0.0408","","","0.1185","0.1223","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017036","4.906","0.003","13.887","0.008","8.468","0.005","90","","94.839","0.008","90","","574.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-bi(1<i>H</i>-imidazole) succinic acid","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","0.5","FG3076","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds","Acta Crystallographica Section C","2009","65","4","o123","o127","10.1107/S0108270109005836","","","0.71073","MoKα","","0.0557","0.0455","","","0.112","0.1174","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017037","5.3095","0.0013","22.941","0.006","5.7023","0.0014","90","","107.93","0.003","90","","660.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,2'-biimidazol-1-ium 2,2'-iminiodiacetate chloride","","- C10 H14 Cl N5 O4 -","- C10 H14 Cl N5 O4 -","- C20 H28 Cl2 N10 O8 -","2","0.5","FG3076","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds","Acta Crystallographica Section C","2009","65","4","o123","o127","10.1107/S0108270109005836","","","0.71073","MoKα","","0.0698","0.0639","","","0.1739","0.1803","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017038","7.6772","0.0011","7.7591","0.0011","9.9774","0.0014","100.718","0.003","107.473","0.003","91.827","0.003","554.58","0.14","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-[(<i>E</i>)-(2-fluorophenyl)aminomethylene]-3-oxobutanoate","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C24 H24 F2 N2 O6 -","2","1","FG3082","Langer, Vratislav; Mach, Pavel; Smrčok, Ľubomír; Milata, Viktor","(<i>E</i>)-Methyl 2-[(2-fluorophenyl)aminomethylene]-3-oxobutanoate: X-ray and density functional theory (DFT) study","Acta Crystallographica Section C","2009","65","4","o183","o185","10.1107/S0108270109009391","","","0.71073","MoKα","","0.0898","0.0495","","","0.1318","0.1549","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017039","19.368","0.015","5.88","0.004","21.894","0.016","90","","95.602","0.009","90","","2481","3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,4,6,8-tetrakis(4-chlorophenyl)-2,4,6,8-tetraazabicyclo[3.3.0]octane","1,3,4,6-tetrakis(4-chlorophenyl)octahydroimidazo[4,5-<i>d</i>]imidazole","","- C28 H22 Cl4 N4 -","- C28 H22 Cl4 N4 -","- C112 H88 Cl16 N16 -","4","0.5","FN3008","Zhang, Zhenfeng; Wang, Jiange; Zhang, Guisheng; Li, Jianpin","Inter-ring and <i>endo</i> anomeric effects, and hydrogen-bonded supramolecular motifs in two 2,4,6,8-tetraazabicyclo[3.3.0]octane derivatives","Acta Crystallographica Section C","2009","65","4","o146","o150","10.1107/S0108270109003242","","","0.71073","MoKα","","0.0451","0.0346","","","0.1199","0.1328","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017040","9.889","0.004","11.996","0.005","12.312","0.005","89.495","0.005","74.381","0.005","82.332","0.005","1393.5","1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","2,4,6,8-tetrakis(4-methoxyphenyl)-2,4,6,8-tetraazabicyclo[3.3.0]octane","1,3,4,6-tetrakis(4-methoxyphenyl)octahydroimidazo[4,5-<i>d</i>]imidazole","","- C32 H34 N4 O4 -","- C32 H34 N4 O4 -","- C64 H68 N8 O8 -","2","1","FN3008","Zhang, Zhenfeng; Wang, Jiange; Zhang, Guisheng; Li, Jianpin","Inter-ring and <i>endo</i> anomeric effects, and hydrogen-bonded supramolecular motifs in two 2,4,6,8-tetraazabicyclo[3.3.0]octane derivatives","Acta Crystallographica Section C","2009","65","4","o146","o150","10.1107/S0108270109003242","","","0.71073","MoKα","","0.0529","0.0405","","","0.1007","0.1108","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017041","11.872","0.003","9.63","0.002","28.441","0.007","90","","71.932","0.004","90","","3091.2","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1-{[4-(dimethylamino)benzylidene]hydrazono}ethyl)benzene-1,3-diol‒ 6-[(<i>E</i>)-1-{[4-(dimethylamino)benzylidene]hydrazino}ethylidene]-3- hydroxycyclohexa-2,4-dien-1-one (1/1)","","- C34 H38 N6 O4 -","- C34 H38 N6 O4 -","- C136 H152 N24 O16 -","4","1","FN3012","Wu, Zhen-Hua; Ma, Jian-Ping; Wu, Xiang-Wen; Huang, Ru-Qi; Dong, Yu-Bin","Cocrystallization of two tautomers: 4-(1-{[4-(dimethylamino)benzylidene]hydrazono}ethyl)benzene-1,3-diol and 6-[(<i>E</i>)-1-{[4-(dimethylamino)benzylidene]hydrazino}ethylidene]-3-hydroxycyclohexa-2,4-dien-1-one (1/1)","Acta Crystallographica Section C","2009","65","4","o128","o130","10.1107/S0108270109006696","","","0.71073","MoKα","","0.0931","0.0518","","","0.1179","0.1367","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017042","8.735","0.0017","10.832","0.002","18.769","0.004","90","","90","","90","","1775.9","0.6","298.15","","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium dititanium difluoride dioxide heptaoxidodisilicate","","- Ba2 F2 O9 Si2 Ti2 -","- Ba2 F2 O9 Si2 Ti2 -","- Ba16 F16 O72 Si16 Ti16 -","8","1","FN3013","Mann, Matthew; Kolis, Joseph","Ba~2~Ti~2~Si~2~O~9~F~2~, a new titanium silicate","Acta Crystallographica Section C","2009","65","4","i17","i19","10.1107/S0108270109007677","","","0.71073","MoKα","","0.0271","0.026","","","0.0577","0.0582","","","","","","1.408","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017043","10.6392","0.0006","11.6737","0.0005","18.203","0.0012","77.961","0.005","89.549","0.005","76.432","0.005","2147.4","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","quinacrinium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate","[4-(6-chloro-2-methoxyacridin-10-ium-9-ylamino)pentyl]diethylammonium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate","","- C39 H46 Cl5 N3 O13 -","- C39 H46 Cl5 N3 O13 -","- C78 H92 Cl10 N6 O26 -","2","1","GA3117","Smith, Graham; Wermuth, Urs D.; Sagatys, Dalius S.","Unusual hydrate stabilization in the two-dimensional layered structure of quinacrinium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate, a proton-transfer compound of the drug quinacrine","Acta Crystallographica Section C","2009","65","4","o131","o133","10.1107/S0108270109006702","","","0.71073","MoKα","","0.1217","0.0779","","","0.1774","0.1947","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017044","21.1117","0.0008","21.1117","0.0008","20.3244","0.0009","90","","90","","120","","7845","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","<i>tert</i>-butyl 2-(1-hydroxyethyl)-3-(2-nitrophenyl)-5-oxo-2,5-dihydro- 1<i>H</i>-pyrrole-1-carboxylate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C306 H360 N36 O108 -","18","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0473","0.0386","","","0.0936","0.098","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017045","9.1439","0.0007","20.7113","0.0018","21.598","0.002","90","","90","","90","","4090.3","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>tert</i>-butyl 2-[1-hydroxy-3-(methoxycarbonyl)propyl]-3-(2-nitrophenyl)-5-oxo-2,5-dihydro- 1<i>H</i>-pyrrole-1-carboxylate","","- C20 H24 N2 O8 -","- C20 H24 N2 O8 -","- C160 H192 N16 O64 -","8","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0729","0.0439","","","0.0993","0.1097","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017046","8.834","0.0009","9.075","0.0009","10.7283","0.001","104.176","0.007","113.759","0.007","101.367","0.008","719.57","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-butyl 2-(4-bromo-1-hydroxybutyl)-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate","","- C13 H20 Br N O4 -","- C13 H20 Br N O4 -","- C26 H40 Br2 N2 O8 -","2","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0304","0.027","","","0.0647","0.0662","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017047","4.2946","0.0005","13.8755","0.0016","14.2541","0.0019","90","","90","","90","","849.4","0.18","173","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,6-Dibromophenyl)formamide","","- C7 H5 Br2 N O -","- C7 H5 Br2 N O -","- C28 H20 Br8 N4 O4 -","4","1","GD3278","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","<i>N</i>-(2,6-Dibromophenyl)formamide","Acta Crystallographica Section C","2009","65","4","o160","o162","10.1107/S010827010900780X","","","0.71073","MoKα","","","0.0269","","","","0.0595","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017048","9.0255","0.0007","25.5628","0.0019","12.6422","0.0009","90","","102.751","0.001","90","","2844.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(<i>N</i>,<i>N</i>-dimethylformamide-κO)(pyrazino[2,3- <i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^8^,<i>N</i>^9^)(μ~3~-ethylene- 4,4'-dibenzoato-κ^5^O,O':O':O'',O''')lead(II)]","","- C33 H25 N5 O5 Pb -","- C33 H25 N5 O5 Pb -","- C132 H100 N20 O20 Pb4 -","4","1","GG3189","Qiao, Qian; Wu, Guo-Qiang; Tang, Tian-Di; Ng, Seik Weng","Poly[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-4,4'-ethylenedibenzoato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'',<i>O</i>''')(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^8^,<i>N</i>^9^)lead(II)]","Acta Crystallographica Section C","2009","65","4","m146","m148","10.1107/S0108270109005253","","","0.71073","MoKα","","0.0549","0.0385","","","0.0828","0.0886","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017049","14.9247","0.0007","19.0706","0.0009","20.8432","0.001","90","","90","","90","","5932.5","0.5","100","2","100","2","","","","","","","","6","I b c a","-I 2b 2c","73","","<i>cis</i>-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9- yl)propyl]amine-κP}platinum(II)","","- C26 H52 Cl2 N2 P2 Pt -","- C26 H52 Cl2 N2 P2 Pt -","- C208 H416 Cl16 N16 P16 Pt8 -","8","0.5","GG3190","Bungu, Peter N.; Otto, Stefanus","<i>cis</i>-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9-yl)propyl]amine-κ<i>P</i>}platinum(II)","Acta Crystallographica Section C","2009","65","4","m152","m155","10.1107/S0108270109005162","","","0.71073","MoKα","","0.0568","0.029","","","0.0606","0.0725","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017050","6.7203","0.0016","9.286","0.002","21.972","0.005","90","","90","","90","","1371.2","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3:4,6-di-<i>O</i>-isopropylidene-α-L-sorbofuranose","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","GG3193","Langer, Vratislav; Steiner, Bohumil; Koóš, Miroslav","2,3:4,6-Di-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose and 2,3-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section C","2009","65","4","o151","o154","10.1107/S0108270109008294","","","0.71073","MoKα","","0.0504","0.037","","","0.0895","0.0978","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017051","6.7321","0.0003","9.1945","0.0005","17.0658","0.0009","90","","90","","90","","1056.34","0.09","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-<i>O</i>-isopropylidene-α-L-sorbofuranose","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","GG3193","Langer, Vratislav; Steiner, Bohumil; Koóš, Miroslav","2,3:4,6-Di-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose and 2,3-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section C","2009","65","4","o151","o154","10.1107/S0108270109008294","","","0.71073","MoKα","","0.0369","0.0309","","","0.0789","0.0822","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017052","9.1139","0.0002","8.3883","0.0002","13.6994","0.0004","90","","100.969","0.001","90","","1028.19","0.04","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[tetraaquadi-μ-2-hydroxypropanedioato-μ-oxalato-dilanthanum(III)] tetrahydrate]","","- C4 H20 La2 O22 -","- C8 H20 La2 O22 -","- C16 H40 La4 O44 -","2","0.5","GT3003","Koner, Rajesh; Goldberg, Israel","Two- and three-dimensional hydrated coordination polymers of diaqualanthanum(3+) ions with 2-hydroxypropanedioate, oxalate and acetate anions as bridging ligands","Acta Crystallographica Section C","2009","65","4","m160","m164","10.1107/S0108270109008798","","","0.71073","MoKα","","0.055","0.0371","","","0.0892","0.0984","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017053","12.1763","0.0002","13.3596","0.0002","27.2064","0.0006","90","","90","","90","","4425.68","0.14","110","2","110","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","poly[[tetra-μ-2-acetato-tetraaqua-μ-oxalato-dilanthanum(III)] dihydrate]","","- C10 H24 La2 O18 -","- C10 H24 La2 O18 -","- C80 H192 La16 O144 -","8","0.25","GT3003","Koner, Rajesh; Goldberg, Israel","Two- and three-dimensional hydrated coordination polymers of diaqualanthanum(3+) ions with 2-hydroxypropanedioate, oxalate and acetate anions as bridging ligands","Acta Crystallographica Section C","2009","65","4","m160","m164","10.1107/S0108270109008798","","","0.71073","MoKα","","0.0369","0.028","","","0.0628","0.0664","","","","","","1.379","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017054","15.108","0.005","12.609","0.004","7.523","0.002","90","","93.962","0.004","90","","1429.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone","","- C16 H15 N O S2 -","- C16 H15 N O S2 -","- C64 H60 N4 O4 S8 -","4","1","GZ3158","Tongwa, Paul; Kinnibrugh, Tiffany L.; Kicchaiahgari, Geetha R.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone and 3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","Acta Crystallographica Section C","2009","65","4","o155","o159","10.1107/S0108270109008336","","","0.71073","MoKα","","0.072","0.0488","","","0.1095","0.1213","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017055","23.222","0.003","5.884","0.0007","23.994","0.003","90","","90","","90","","3278.5","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","","- C16 H13 Br2 N O S2 -","- C16 H13 Br2 N O S2 -","- C128 H104 Br16 N8 O8 S16 -","8","2","GZ3158","Tongwa, Paul; Kinnibrugh, Tiffany L.; Kicchaiahgari, Geetha R.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone and 3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","Acta Crystallographica Section C","2009","65","4","o155","o159","10.1107/S0108270109008336","","","0.71073","MoKα","","0.0916","0.0544","","","0.1115","0.1219","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017056","5.5823","0.0002","5.6194","0.0002","7.9045","0.0003","90","","90","0.009","90","","247.958","0.016","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lanthanum Niobium Nickelate","Lanthanum nickel niobium trioxide","","- La Nb0.33 Ni0.67 O3 -","- La Nb0.33 Ni0.67 O3 -","- La4 Nb1.32 Ni2.68 O12 -","4","1","LG3004","Tolchard, Julian R.; Fontaine, Marie-Laure; Grande, Tor","La(Ni~2/3~Nb~1/3~)O~3~ by neutron powder diffraction","Acta Crystallographica Section C","2009","65","4","i11","i13","10.1107/S0108270108042467","","neutron","","neutron","","","","","","","","","","1.26","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017057","4.7961","0.0002","6.3747","0.0003","6.5643","0.0005","84.651","0.002","69.49","0.003","72.011","0.004","178.759","0.018","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","nickel(II) divanadium(V) ditellurium(IV) decaoxide","","- Ni O10 Te2 V2 -","- Ni O10 Te2 V2 -","- Ni O10 Te2 V2 -","1","0.5","LG3009","Zhang, Dong; Johnsson, Mats","Nickel vanadium tellurium oxide, NiV~2~Te~2~O~10~","Acta Crystallographica Section C","2009","65","4","i9","i10","10.1107/S0108270109006817","","","0.71073","MoKα","","0.0262","0.0257","","","0.0707","0.0709","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017058","12.377","0.002","12.446","0.002","19.979","0.003","90","","104.812","0.003","90","","2975.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene","","- C32 H27.91 N11.73 O4.09 -","- C32 H27.909 N11.727 O4.091 -","- C128 H111.636 N46.908 O16.364 -","4","1","LN3123","Zhao, Mei; Zhang, Xin-Yan; Ma, Jian-Ping; Huang, Ru-Qi; Guo, Dian-Shun","Self-inclusion structure of 5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene, and 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)-26,28-bis(2-pyridylmethoxy)calix[4]arene","Acta Crystallographica Section C","2009","65","4","o186","o190","10.1107/S0108270109010609","","","0.71073","MoKα","","0.0839","0.0597","","","0.1529","0.1677","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017059","19.28","0.003","21.358","0.004","27.67","0.005","90","","90","","90","","11394","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)- 26,28-bis(2-pyridylmethoxy)calix[4]arene","","- C60 H68 Cl2 N2 O6 -","- C60 H68 Cl2 N2 O6 -","- C480 H544 Cl16 N16 O48 -","8","1","LN3123","Zhao, Mei; Zhang, Xin-Yan; Ma, Jian-Ping; Huang, Ru-Qi; Guo, Dian-Shun","Self-inclusion structure of 5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene, and 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)-26,28-bis(2-pyridylmethoxy)calix[4]arene","Acta Crystallographica Section C","2009","65","4","o186","o190","10.1107/S0108270109010609","","","0.71073","MoKα","","0.1148","0.0654","","","0.1637","0.1921","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017060","16.635","0.003","9.814","0.002","19.495","0.004","90","","109.32","0.03","90","","3003.4","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[acetonetetraaqua[μ~6~-ethyl (dichloromethylene)diphosphonato][μ~5~-ethyl (dichloromethylene)diphosphonato]tribarium(II)]","","- C9 H24 Ba3 Cl4 O17 P4 -","- C9 H24 Ba3 Cl4 O17 P4 -","- C36 H96 Ba12 Cl16 O68 P16 -","4","1","LN3125","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko; Ahlgrén, Markku","Poly[(acetone)tetraaqua[μ~6~-ethyl (dichloromethylene)diphosphonato][μ~5~-ethyl (dichloromethylene)diphosphonato]tribarium(II)]","Acta Crystallographica Section C","2009","65","4","m165","m167","10.1107/S0108270109010166","","","0.71073","MoKα","","0.0326","0.0293","","","0.0789","0.0807","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017061","7.8444","0.0003","9.8146","0.0004","10.0871","0.0004","90","","92.103","0.003","90","","776.08","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4- epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C40 H32 Br2 N2 O2 -","2","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0577","0.046","","","0.0951","0.1019","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017062","9.7758","0.0016","9.8211","0.0014","33.174","0.003","90","","90","","90","","3185","0.7","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2RS,4SR)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H15 Br Cl N O -","- C20 H15 Br Cl N O -","- C160 H120 Br8 Cl8 N8 O8 -","8","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0751","0.0424","","","0.0772","0.0877","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017063","11.3036","0.0004","12.7585","0.0005","11.173","0.0003","90","","109.137","0.002","90","","1522.29","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2RS,4SR)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4- epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H16 F N O -","- C20 H16 F N O -","- C80 H64 F4 N4 O4 -","4","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0855","0.061","","","0.1108","0.123","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017064","9.1011","0.0002","13.1771","0.0002","13.7172","0.0003","67.3835","0.0009","81.1791","0.0009","84.8788","0.001","1499.76","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","poly[bis[diaqualanthanum(III)]tris(μ-1-benzofuran-2,3-dicarboxylato)]","","- C30 H20 La2 O19 -","- C30 H20 La2 O19 -","- C60 H40 La4 O38 -","2","1","SK3297","Koner, Rajesh; Goldberg, Israel","A unique two-dimensional coordination network of 1-benzofuran-2,3-dicarboxylate with lanthanum(III) obtained by solvothermal synthesis","Acta Crystallographica Section C","2009","65","4","m149","m151","10.1107/S0108270109007161","","","0.71073","MoKα","","0.0622","0.0409","","","0.0902","0.1011","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017065","9.131","0.002","13.759","0.003","14.264","0.003","103.733","0.003","96.928","0.003","98.459","0.003","1699.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionic acid","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","2","SK3306","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionic acid and the corresponding methyl ester","Acta Crystallographica Section C","2009","65","4","o163","o166","10.1107/S010827010900941X","","","0.71073","MoKα","","0.0601","0.0426","","","0.1053","0.1148","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017066","22.174","0.005","5.1352","0.0011","31.884","0.007","90","","101.126","0.002","90","","3562.3","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionate","","- C20 H19 Cl N2 O3 -","- C20 H19 Cl N2 O3 -","- C160 H152 Cl8 N16 O24 -","8","1","SK3306","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionic acid and the corresponding methyl ester","Acta Crystallographica Section C","2009","65","4","o163","o166","10.1107/S010827010900941X","","","0.71073","MoKα","","0.0399","0.0337","","","0.0831","0.0872","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017067","7.502","0.0002","10.8274","0.0003","32.3927","0.0009","90","","90","","90","","2631.17","0.12","130","2","130","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetraaquabis(<i>D</i>-camphor-10-sulfonato)calcium(II)","","- C20 H38 Ca O12 S2 -","- C20 H38 Ca O12 S2 -","- C80 H152 Ca4 O48 S8 -","4","0.5","SQ3182","Jeremić, Dejan; Kaluderović, Goran N.; Gómez-Ruiz, Santiago; Brčeski, Ilija; Andelković, Katarina K.","Tetraaquabis(<small>D</small>-camphor-10-sulfonato)calcium(II)","Acta Crystallographica Section C","2009","65","4","m143","m145","10.1107/S0108270109004193","","","0.71073","MoKα","","0.0371","0.0319","","","0.0642","0.0653","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017068","8.1004","0.00001","8.1004","0.00001","10.60052","0.00001","90","","90","","120","","602.38","0.0012","298","","298","","","","","","","","","4","P 63 c m","P 6c -2","185","","lithium barium silicate","","- Ba Li2 O4 Si -","- Ba Li2 O4 Si -","- Ba6 Li12 O24 Si6 -","6","0.5","SQ3185","Kim, Jinyoung; Ahn, Docheon; Kulshreshtha, Chandramouli; Sohn, Kee-Sun; Shin, Namsoo","Lithium barium silicate, Li~2~BaSiO~4~, from synchrotron powder data","Acta Crystallographica Section C","2009","65","4","i14","i16","10.1107/S0108270109006118","","","1.5496","synchrotron","","","","","","","","","","1.7","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017069","15.1088","0.0011","8.9454","0.0005","15.93","0.0013","90","","100.131","0.008","90","","2119.4","0.3","180","2","180","2","101","2","","","","","","4","C 1 2/c 1","-C 2yc","15","3,6-Dinitrodurene","1,2,4,5-tetramethyl-3,6-dinitrobenzene","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","1","SQ3188","Galicia Aguilar, José Alberto; Bernès, Sylvain","Dimorphic forms of 3,6-dinitrodurene in a single space group","Acta Crystallographica Section C","2009","65","4","o176","o178","10.1107/S0108270109008439","","","0.71073","MoKα","","0.0695","0.0472","","","0.1203","0.1297","","","","","","1.077","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017070","8.9592","0.0019","15.313","0.003","16.136","0.004","90","","101.3","0.013","90","","2170.8","0.8","298","1","298","1","101","2","","","","","","4","C 1 2/c 1","-C 2yc","15","3,6-Dinitrodurene","1,2,4,5-tetramethyl-3,6-dinitrobenzene","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","1","SQ3188","Galicia Aguilar, José Alberto; Bernès, Sylvain","Dimorphic forms of 3,6-dinitrodurene in a single space group","Acta Crystallographica Section C","2009","65","4","o176","o178","10.1107/S0108270109008439","","","0.71073","MoKα","","0.095","0.0508","","","0.1295","0.1521","","","","","","1.063","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017071","12.3336","0.0001","7.4124","0.0001","18.2476","0.0001","90","","101.93","0.001","90","","1632.19","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3bR,5aR,9aR,9bR)-3b,6,6,9a-tetramethyl-4,5,5a,6,8,9,9a,9b,10,11- decahydrophenanthro[1,2-<i>c</i>]furan-7(3bH)-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0304","0.0274","","","0.0692","0.0704","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017072","9.5317","0.0001","7.8958","0.0001","11.6742","0.0001","90","","101.734","0.001","90","","860.244","0.016","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3b<i>R</i>,5a<i>R</i>,6<i>S</i>,7<i>R</i>,9a<i>R</i>,9b<i>R</i>)-7-hydroxy- 6-hydroxymethyl-3b,6,9a-trimethyl-3b,5,5a,6,7,9,9a,9b,10,11- decahydrophenanthro[1,2-<i>c</i>]furan-8(4<i>H</i>)-one","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0452","0.0448","","","0.1184","0.1186","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017073","6.1411","0.0001","12.7415","0.0003","21.6714","0.0005","90","","90","","90","","1695.72","0.06","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3b<i>R</i>,5a<i>R</i>,6<i>S</i>,7<i>S</i>,9a<i>R</i>,9b<i>R</i>)-7-hydroxy- 6-hydroxymethyl-3b,6,9a-trimethyl-3b,5,5a,6,7,9,9a,9b,10,11- decahydrophenanthro[1,2-<i>c</i>]furan-8(4<i>H</i>)-one","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0608","0.0561","","","0.1515","0.1552","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017074","8.825","0.002","8.408","0.002","4.669","0.001","90","","90","","90","","346.44","0.14","299","2","299","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Aluminium oxyfluoride","","- Al F O -","- Al F O -","- Al12 F12 O12 -","12","1.5","SQ3190","Vasiliev, Alexander D.; Melnikova, Svetlana V.; Isaenko, Lyudmila I.","Orthorhombic aluminium oxyfluoride, AlOF","Acta Crystallographica Section C","2009","65","4","i20","i22","10.1107/S0108270109010671","","","0.71073","MoKα","","0.044","0.0308","","","0.071","0.0775","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017075","14.027","0.0008","19.6354","0.001","26.2445","0.0012","90","","90","","90","","7228.4","0.6","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,7α,11β-triacetoxycucurbit-5(10)-ene","","- C36 H58 O6 -","- C36 H58 O6 -","- C288 H464 O48 -","8","2","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.0825","0.052","","","0.1369","0.1471","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017076","9.0958","0.0009","14.851","0.0016","25.526","0.002","90","","90","","90","","3448.1","0.6","190","1","190","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,7α,11β-triacetoxy-5α-cucurbit-1(10)-ene","","- C36 H58 O6 -","- C36 H58 O6 -","- C144 H232 O24 -","4","1","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1284","0.0545","","","0.0709","0.0782","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017077","14.48","0.0012","19.8818","0.0013","26.882","0.002","90","","90","","90","","7739","1","295","2","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 -","- C36 H58 O6 -","- C288 H464 O48 -","8","2","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1851","0.0953","","","0.247","0.2757","","","","","","1.005","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017078","9.0756","0.0007","14.9566","0.0017","26.008","0.002","90","","90","","90","","3530.3","0.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 -","- C36 H58 O6 -","- C144 H232 O24 -","4","1","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1128","0.0509","","","0.1129","0.1263","","","","","","0.89","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017079","7.8505","0.0001","7.8505","0.0001","18.1513","0.0005","90","","90","","90","","1118.67","0.04","110","2","110","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)]","","- C12 H10 Cu N2 O4 -","- C12 H10 Cu N2 O4 -","- C48 H40 Cu4 N8 O16 -","4","0.5","BM3078","Koner, Rajesh; Goldberg, Israel","The coordination polymers poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)] and <i>catena</i>-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-μ-1,2-di-4-pyridylethane] dihydrate]","Acta Crystallographica Section C","2009","65","5","m185","m189","10.1107/S0108270109011299","","","0.71073","MoKα","","0.0401","0.0368","","","0.0941","0.0962","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017080","13.3333","0.0003","15.125","0.0003","11.9108","0.0002","90","","110.982","0.0007","90","","2242.73","0.08","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-μ- 1,2-di-4-pyridylethane] dihydrate]","","- C22 H24 Cu N2 O9 -","- C22 H24 Cu N2 O9 -","- C88 H96 Cu4 N8 O36 -","4","1","BM3078","Koner, Rajesh; Goldberg, Israel","The coordination polymers poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)] and <i>catena</i>-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-μ-1,2-di-4-pyridylethane] dihydrate]","Acta Crystallographica Section C","2009","65","5","m185","m189","10.1107/S0108270109011299","","","0.71073","MoKα","","0.0757","0.0495","","","0.126","0.1409","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017081","7.9908","0.0005","9.8312","0.0006","10.0569","0.0006","64.296","0.001","77.915","0.001","67.998","0.001","659","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3,5-triazine-2,4,6-triamine-κ<i>N</i>^1^)silver(I) nitrate","","- C6 H12 Ag N13 O3 -","- C6 H12 Ag N13 O3 -","- C12 H24 Ag2 N26 O6 -","2","1","DN3109","Massoud, Al-shima'a A.; Langer, Vratislav","Bis(1,3,5-triazine-2,4,6-triamine-κ<i>N</i>^1^)silver(I) nitrate","Acta Crystallographica Section C","2009","65","5","m198","m200","10.1107/S0108270109013110","","","0.71073","MoKα","","0.038","0.0285","","","0.0679","0.0713","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017082","5.5071","0.0011","11.094","0.002","19.438","0.004","90","","90","","90","","1187.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-trihydro(isopropoxy)borato]sodium(I)]","","- C3 H10 B Na O -","- C3 H10 B Na O -","- C24 H80 B8 Na8 O8 -","8","1","DN3110","Gainsford, Graeme J.; Kemmitt, Tim; Jameson, Geoffrey B.; Telfer, Shane G.","The first example of a mixed alkoxide hydride of boron: sodium boron isopropoxide trihydride","Acta Crystallographica Section C","2009","65","5","m180","m181","10.1107/S010827010901172X","","","1.54178","CuKα","","0.0788","0.0703","","","0.1851","0.1938","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017083","9.2393","0.0009","14.3799","0.0013","7.5145","0.0005","90","","107.069","0.002","90","","954.4","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrakis(diazidomethyl)benzene","","- C10 H6 N24 -","- C10 H6 N24 -","- C20 H12 N48 -","2","0.5","DN3112","Wieland, Marcel; Su, Kuan-Jen; Wagner, Gerald; Brinker, Udo H.; Arion, Vladimir B.","1,2,4,5-Tetrakis(diazidomethyl)benzene","Acta Crystallographica Section C","2009","65","5","o240","o242","10.1107/S0108270109013894","","","0.71073","MoKα","","0.0703","0.0439","","","0.0998","0.1098","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017084","12.398","0.002","10.1902","0.0019","23.773","0.005","90","","90","","90","","3003.4","1","193","2","193","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","Bis[4-(trimethylammonio)phenyl] disulfide diiodide acetone solvate","","- C24 H38 I2 N2 O2 S2 -","- C24 H38 I2 N2 O2 S2 -","- C96 H152 I8 N8 O8 S8 -","4","0.5","EG3006","Zhang, Zheng; Tang, Xiao-Yan; Lang, Jian-Ping; Chen, Jin-Xiang","Bis[4-(trimethylammonio)phenyl] disulfide diiodide acetone solvate","Acta Crystallographica Section C","2009","65","5","o211","o213","10.1107/S010827010901066X","","","0.7107","MoKα","","0.059","0.0562","","","0.0978","0.099","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017085","16.728","0.002","11.449","0.002","23.649","0.003","90","","99.69","0.03","90","","4464.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-2,4,6-tribromoisophthalic acid","","- C8 H4 Br3 N O4 -","- C8 H4 Br3 N O4 -","- C128 H64 Br48 N16 O64 -","16","4","EG3012","Beck, Tobias; Herbst-Irmer, Regine; Sheldrick, George M.","5-Amino-2,4,6-tribromoisophthalic acid: the MAD triangle for experimental phasing","Acta Crystallographica Section C","2009","65","5","o237","o239","10.1107/S0108270109013195","","","1.54178","CuKα","","0.0276","0.0258","","","0.0631","0.0641","","","","","","1.132","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017086","9.7614","0.0014","10.0379","0.0014","12.3947","0.0017","89.49","0.002","84.81","0.002","65.989","0.002","1104.3","0.3","292","2","292","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C52 H44 O12 -","2","1","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.0819","0.0577","","","0.1691","0.1908","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017087","9.8546","0.0018","10.0864","0.0019","12.539","0.002","89.469","0.004","85.207","0.004","65.578","0.003","1130.4","0.3","393","2","393","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C52 H44 O12 -","2","1","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.125","0.059","","","0.1726","0.2196","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017088","10.8028","0.0018","14.798","0.003","15.926","0.003","63.692","0.002","72.394","0.003","73.2","0.003","2139.2","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","2","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.0644","0.0494","","","0.1283","0.139","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017089","10.7955","0.0017","14.726","0.002","15.887","0.003","63.491","0.002","72.4","0.002","73.011","0.002","2117.4","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","2","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.0569","0.0475","","","0.1085","0.1135","","","","","","1.092","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017090","8.863","0.004","9.14","0.004","10.148","0.006","65.7","0.04","79.43","0.05","64.03","0.03","673.6","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4,5-dibromo-2-hexyloxyphenol","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C24 H32 Br4 O4 -","2","1","FG3087","Cukiernik, Fabio D.; Cecchi, Florencia; Baggio, Ricardo","Comparison of halogen bonding and van der Waals and π‒π interactions in 4,5-dibromo-2-hexyloxyphenol","Acta Crystallographica Section C","2009","65","5","o233","o236","10.1107/S0108270109013286","","","0.71073","MoKα","","0.0983","0.063","","","0.1614","0.1827","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017091","8.3835","0.0017","20.229","0.004","14.101","0.003","90","","92.989","0.003","90","","2388.1","0.8","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatris(μ~3~-2,2-dimethylmalonato)dilanthanum(III)] monohydrate]","","- C15 H28 La2 O17 -","- C15 H28 La2 O17 -","- C60 H112 La8 O68 -","4","1","GA3119","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[tetraaquatris(μ~3~-2,2-dimethylmalonato)dilanthanum(III)] monohydrate]","Acta Crystallographica Section C","2009","65","5","m195","m197","10.1107/S0108270109012931","","","0.71073","MoKα","","0.048","0.0354","","","0.0794","0.0877","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017092","8.324","0.001","6.3744","0.0008","11.0384","0.0013","90","","95.898","0.002","90","","582.6","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(2,4,6-trifluoromethyl)phenylphosphinic acid","","- C9 H4 F9 O2 P -","- C9 H4 F9 O2 P -","- C18 H8 F18 O4 P2 -","2","1","GD3280","Cornet, Stéphanie M.; Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Thompson, Amber L.","Hydrogen bonding and short contacts in [2,4,6-tris(trifluoromethyl)phenyl]phosphinic acid","Acta Crystallographica Section C","2009","65","5","o195","o197","10.1107/S0108270109010415","","","0.71073","MoKα","","0.0705","0.0512","","","0.1009","0.1072","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017093","8.199","0.003","12.203","0.004","14.158","0.004","100.78","0.03","93.87","0.03","104.5","0.03","1337.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium hydrogen difluoride","","- C2 H8 F2 N4 S -","- C2 H8 F2 N4 S -","- C16 H64 F16 N32 S8 -","8","4","GD3281","Hołyńska, Małgorzata; Kubiak, Maria","Products of the interaction of (1-diaminomethylene)thiourea with hydrofluoric acid","Acta Crystallographica Section C","2009","65","5","o191","o194","10.1107/S0108270109010919","","","0.71073","MoKα","","0.0952","0.056","","","0.1132","0.1286","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017094","6.537","0.003","7.39","0.003","7.884","0.004","83.65","0.03","83.44","0.03","66.15","0.03","345.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[1-(diaminomethylene)thiouron-1-ium] hexafluoridosilicate","","- C4 H14 F6 N8 S2 Si -","- C4 H14 F6 N8 S2 Si -","- C4 H14 F6 N8 S2 Si -","1","0.5","GD3281","Hołyńska, Małgorzata; Kubiak, Maria","Products of the interaction of (1-diaminomethylene)thiourea with hydrofluoric acid","Acta Crystallographica Section C","2009","65","5","o191","o194","10.1107/S0108270109010919","","","0.71073","MoKα","","0.0332","0.026","","","0.0685","0.0712","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017095","5.6227","0.0014","14.884","0.004","6.7419","0.0017","90","","103.557","0.004","90","","548.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Dimethyldipyrazinium bis(tetrafluoroborate)","","- C6 H10 B2 F8 N2 -","- C6 H10 B2 F8 N2 -","- C12 H20 B4 F16 N4 -","2","0.5","GG3186","Lu, Jianjiang; Jalilov, Almaz S.; Kochi, Jay K.","<i>N</i>,<i>N</i>'-Dimethylpyrazinediium bis(tetrafluoroborate) and <i>N</i>,<i>N</i>'-diethylpyrazinediium bis(tetrafluoroborate): new examples of anion‒π triads","Acta Crystallographica Section C","2009","65","5","o226","o228","10.1107/S0108270109005277","","","0.71073","MoKα","","0.0567","0.0477","","","0.1234","0.1314","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017096","9.324","0.003","6.2281","0.0017","11.987","0.004","90","","102.346","0.007","90","","680","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Diethyldipyrazinium bis(tetrafluoroborate)","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8 N2 -","- C16 H28 B4 F16 N4 -","2","0.5","GG3186","Lu, Jianjiang; Jalilov, Almaz S.; Kochi, Jay K.","<i>N</i>,<i>N</i>'-Dimethylpyrazinediium bis(tetrafluoroborate) and <i>N</i>,<i>N</i>'-diethylpyrazinediium bis(tetrafluoroborate): new examples of anion‒π triads","Acta Crystallographica Section C","2009","65","5","o226","o228","10.1107/S0108270109005277","","","0.71073","MoKα","","0.1007","0.0618","","","0.1446","0.1673","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017097","11.931","0.002","12.157","0.002","6.2921","0.0013","90","","90","","90","","912.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Diphenyldipyridinezinc(II)","","- C22 H20 N2 Zn -","- C22 H20 N2 Zn -","- C44 H40 N4 Zn2 -","2","0.5","GG3194","Lennartson, Anders; Håkansson, Mikael","Diphenyldipyridinezinc(II): partial spontaneous resolution of an organometallic reagent","Acta Crystallographica Section C","2009","65","5","m205","m207","10.1107/S0108270109014127","","","0.71073","MoKα","","0.0179","0.0172","","","0.0453","0.0455","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017098","10.6056","0.0005","10.9946","0.0011","12.677","0.0011","69.78","0.013","76.523","0.005","64.484","0.007","1245.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-{[4-Amino-6-methoxy-2-(methylsulfanyl)pyrimidin-5-yl]amino}-1,2'- biindenylidene-1',3'-dione dimethyl sulfoxide solvate","","- C26 H24 N4 O4 S2 -","- C26 H24 N4 O4 S2 -","- C52 H48 N8 O8 S4 -","2","1","GG3196","Orozco, Fabián; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3-{[4-Amino-6-methoxy-2-(methylsulfanyl)pyrimidin-5-yl]amino}-1,2'-biindenylidene-1',3'-dione dimethyl sulfoxide solvate: π-stacked sheets of hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2009","65","5","o229","o232","10.1107/S0108270109011251","","","0.71073","MoKα","","0.1412","0.0683","","","0.1095","0.1317","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017099","9.3287","0.0019","13.1352","0.001","16.2814","0.0019","87.815","0.01","74.095","0.01","89.987","0.016","1917.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,tetrahydropyrimidin-1-ide 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C15 H23 N9 O6 -","- C15 H23 N9 O6 -","- C60 H92 N36 O24 -","4","2","GG3200","Orozco, Fabián; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","The 2:1 salt-type adduct formed between 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione and piperidine: sheets containing 20 independent hydrogen bonds","Acta Crystallographica Section C","2009","65","5","o257","o260","10.1107/S0108270109014279","","","0.71073","MoKα","","0.2202","0.0688","","","0.1484","0.2163","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017100","5.6664","0.0002","9.0149","0.0004","9.7749","0.0005","109.349","0.004","102.282","0.003","100.119","0.003","443.62","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","DL-Cysteinium semioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","GZ3159","Minkov, Vasily S.; Boldyreva, Elena V.","<small>DL</small>-Cysteinium semioxalate","Acta Crystallographica Section C","2009","65","5","o245","o247","10.1107/S010827010901350X","","","0.71073","MoKα","","0.044","0.0347","","","0.0974","0.101","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017101","5.1733","0.0003","13.1797","0.0007","16.1108","0.0009","90","","90","","90","","1098.48","0.11","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","Lithium zinc(II) pyrophosphate","dilithium(I) trizinc(II) bis[diphosphate(4-)]","","- Li2 O14 P4 Zn3 -","- Li2 O14 P4 Zn3 -","- Li8 O56 P16 Zn12 -","4","0.5","LG3007","Ji, Lina; Ma, Hongwei; Liang, Jingkui","Lithium zincopyrophosphate, Li~2~Zn~3~(P~2~O~7~)~2~","Acta Crystallographica Section C","2009","65","5","i30","i32","10.1107/S0108270109011457","","","0.71073","MoKα","","0.0248","0.0226","","","0.0619","0.0629","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017102","5.8416","0.0015","5.8416","0.0015","14.604","0.005","90","","90","","120","","431.6","0.2","298.15","","298.15","0.02","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Potassium scandium niobate hydroxide","","- H1.75 K3 Nb2.13 O9 Sc0.88 -","- H1.74 K3 Nb2.13 O9 Sc0.88 -","- H3.48 K6 Nb4.26 O18 Sc1.76 -","2","0.0833333","LG3008","Mann, Matthew; Kolis, Joseph; VanDerveer, Don","K~3~(Sc~0.875~Nb~0.125~)Nb~2~O~9~H~1.75~: a new scandium niobate with a unique cage structure","Acta Crystallographica Section C","2009","65","5","i27","i29","10.1107/S0108270109009421","","","0.71073","MoKα","","0.0289","0.0275","","","0.0792","0.081","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017103","4.3758","0.0004","17.1354","0.0015","11.1188","0.001","90","","96.558","0.002","90","","828.24","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","adeninium hemioxalate chloride","adeninium hemioxalate chloride","","- C12 H14 Cl2 N10 O4 -","- C12 H14 Cl2 N10 O4 -","- C24 H28 Cl4 N20 O8 -","2","0.5","LN3126","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Supramolecular hydrogen-bonded networks in adeninediium hemioxalate chloride and adeninium semioxalate hemi(oxalic acid) monohydrate","Acta Crystallographica Section C","2009","65","5","o202","o206","10.1107/S0108270109011780","","","0.71073","MoKα","","0.0312","0.0306","","","0.0898","0.0904","","","","","","1.087","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017104","3.6222","0.0003","28.131","0.003","11.1101","0.001","90","","98.696","0.002","90","","1119.06","0.18","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Adeninium oxalate hemioxalic acid hydrate","adeninium oxalate hemi(oxalic acid) monohydrate","","- C8 H10 N5 O7 -","- C8 H10 N5 O7 -","- C32 H40 N20 O28 -","4","1","LN3126","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Supramolecular hydrogen-bonded networks in adeninediium hemioxalate chloride and adeninium semioxalate hemi(oxalic acid) monohydrate","Acta Crystallographica Section C","2009","65","5","o202","o206","10.1107/S0108270109011780","","","0.71073","MoKα","","0.0391","0.0374","","","0.1015","0.1028","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","203508","2020-10-21","18:00:00",""
"2017105","11.548","0.004","8.479","0.002","37.184","0.01","90","","90","","90","","3640.9","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(morpholine)[<i>N</i>'-(5-nitro-2-oxidobenzylidene)benzohydrazidato]nickel(II)","","- C18 H18 N4 Ni O6 -","- C18 H18 N4 Ni O6 -","- C144 H144 N32 Ni8 O48 -","8","1","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0548","0.0375","","","0.0805","0.0881","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017106","17.004","0.005","11.13","0.004","18.59","0.005","90","","90","","90","","3518.2","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[μ-<i>N</i>'-(5-nitro-2- oxidobenzylidene)benzohydrazidato]bis[(morpholine)zinc(II)","","- C36 H38 N6 O8 Zn2 -","- C36 H38 N6 O8 Zn2 -","- C144 H152 N24 O32 Zn8 -","4","0.5","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0886","0.0491","","","0.1275","0.1377","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017107","14.7703","0.0007","15.5535","0.0008","21.6991","0.0011","77.533","0.003","79.815","0.003","70.941","0.003","4569.9","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","holas13","μ-carbonato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''- bis{[2,2,6,6-tetramethyl-3,5-bis(2,4,6-triisopropylphenyl)heptane-2,5- diiminate(1-)-κ^2^<i>N</i>,<i>N</i>']iron(II)} toluene disolvate","","- C97 H146 Fe2 N4 O3 -","- C97.003 H146.007 Fe2 N4 O3 -","- C194.006 H292.014 Fe4 N8 O6 -","2","1","MX3010","Sadique, Azwana R.; Brennessel, William W.; Holland, Patrick L.","A diketiminate-bound diiron complex with a bridging carbonate ligand","Acta Crystallographica Section C","2009","65","5","m174","m176","10.1107/S0108270109011275","","","0.71073","MoKα","","0.0662","0.042","","","0.0952","0.1054","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017108","6.2621","0.0009","10.6826","0.0007","16.4111","0.0006","92.214","0.005","94.35","0.005","98.257","0.007","1081.95","0.18","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","<i>rac</i>-bis(ethane-1,2-diamine)(oxamato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III) bis(trifluoromethanesulfonate) dihydrate","","- C8 H22 Co F6 N5 O11 S2 -","- C8 H22 Co F6 N5 O11 S2 -","- C16 H44 Co2 F12 N10 O22 S4 -","2","1","MX3011","Hammershøi, Anders; Magnussen, Magnus","Linkage isomeric oxamate chelates: <i>rac</i>-bis(ethane-1,2-diamine)oxamatocobalt(III) bis(trifluoromethanesulfonate) dihydrate and Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2{-})]cobalt(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","5","m201","m204","10.1107/S0108270109013122","","","0.71073","MoKα","","0.0525","0.0347","","","0.0716","0.0794","","","","","","1.09","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017109","6.6398","0.0004","11.6663","0.0008","9.2846","0.001","90","","96.517","0.011","90","","714.56","0.1","122","1","122","1","","","","","","","","7","P 1 21 1","P 2yb","4","","Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2-)- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) trifluoromethanesulfonate","","- C7 H17 Co F3 N5 O6 S -","- C7 H17 Co F3 N5 O6 S -","- C14 H34 Co2 F6 N10 O12 S2 -","2","1","MX3011","Hammershøi, Anders; Magnussen, Magnus","Linkage isomeric oxamate chelates: <i>rac</i>-bis(ethane-1,2-diamine)oxamatocobalt(III) bis(trifluoromethanesulfonate) dihydrate and Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2{-})]cobalt(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","5","m201","m204","10.1107/S0108270109013122","","","0.71073","MoKα","","0.0212","0.0194","","","0.0459","0.0469","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017110","12.9908","0.0017","18.311","0.003","10.9171","0.0014","90","","103.099","0.002","90","","2529.3","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')tris(methanol- 2κ<i>O</i>)(nitrato-2κ^2^<i>O</i>,<i>O</i>')-μ-cyanido- 1:2<i>C</i>:<i>N</i>-cyanido-1κ<i>C</i>-iron(II)neodymium(III)]-di-μ-cyanido- 1:2'<i>C</i>:<i>N</i>;2:1'<i>N</i>:<i>C</i>] methanol solvate]","","- C18 H24 Fe N7 Nd O7 -","- C18 H24 Fe N7 Nd O7 -","- C72 H96 Fe4 N28 Nd4 O28 -","4","1","SF3099","Xu, Yan; Zhou, Hu; Yuan, Ai-Hua; Shen, Xiao-Ping; Zhang, Qian","A cyanide-bridged Fe^II^‒Nd^III^ bimetallic assembly with a one-dimensional ladder-like chain structure","Acta Crystallographica Section C","2009","65","5","m177","m179","10.1107/S0108270109005344","","","0.71073","MoKα","","0.0589","0.0417","","","0.0848","0.0874","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017111","11.893","0.005","13.322","0.005","17.097","0.005","90","0.005","96.659","0.005","90","0.005","2690.5","1.7","207","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[(pentaethylenehexamine)manganese(II)] [hepta-μ-selenido-tritin(IV)]]","","- C10 H28 Mn N6 Se7 Sn3 -","- C10 H28 Mn N6 Se7 Sn3 -","- C40 H112 Mn4 N24 Se28 Sn12 -","4","1","SF3102","Xu, Guo-Hai; Wang, Cheng; Guo, Peng","Poly[[(pentaethylenehexamine)manganese(II)] [hepta-μ-selenido-tritin(IV)]]: a tin‒selenium net with remarkable flexibility","Acta Crystallographica Section C","2009","65","5","m171","m173","10.1107/S0108270109010956","","","0.71069","MoKα","","0.0652","0.0423","","","0.0718","0.0789","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017112","9.477","0.001","10.398","0.001","11.4573","0.0001","90.259","0.001","101.436","0.001","94.055","0.001","1103.64","0.16","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","3,3,4,4,5,5-Hexafluoro-1-(2-methoxyphenyl)-2-[5-(4-methoxyphenyl)- 2-methyl-3-thienyl]cyclopent-1-ene","","- C24 H18 F6 O2 S -","- C24 H18 F6 O2 S -","- C48 H36 F12 O4 S2 -","2","1","SF3103","Fan, Congbin; Liu, Gang; Liu, Weijun; Yang, Tianshe; Ng, Seik Weng","3,3,4,4,5,5-Hexafluoro-1-(2-methoxyphenyl)-2-[5-(4-methoxyphenyl)-2-methyl-3-thienyl]cyclopent-1-ene: a photochromic compound","Acta Crystallographica Section C","2009","65","5","o243","o244","10.1107/S0108270109013468","","","0.71073","MoKα","","0.0541","0.0434","","","0.1249","0.1349","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017113","13.023","0.0004","13.023","0.0004","19.8046","0.0013","90","","90","","120","","2908.8","0.2","173","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","1,3,5-Triphenyladamantane","","- C28 H28 -","- C28 H28 -","- C168 H168 -","6","0.333333","SF3104","Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane","Acta Crystallographica Section C","2009","65","5","o248","o252","10.1107/S0108270109013456","","","0.71073","MoKα","","0.0569","0.0393","","","0.0915","0.1028","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017114","12.826","0.0011","12.826","0.0011","7.2032","0.0006","90","","90","","90","","1184.97","0.17","213","2","213","2","","","","","","","","2","P -4 21 c","P -4 2n","114","","1,3,5,7-Tetraphenyladamantane","","- C34 H32 -","- C34 H32 -","- C68 H64 -","2","0.25","SF3104","Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane","Acta Crystallographica Section C","2009","65","5","o248","o252","10.1107/S0108270109013456","","","0.71073","MoKα","","0.0442","0.0348","","","0.0817","0.084","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017115","6.8017","0.001","8.158","0.0011","17.438","0.002","90","","90","","90","","967.6","0.2","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","2-Methylimidazolium hydrogen succinate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","SK3296","Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang","A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate","Acta Crystallographica Section C","2009","65","5","o217","o221","10.1107/S0108270109012530","","","0.71073","Mokα","","0.0397","0.0344","","","0.0871","0.0919","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017116","5.4433","0.001","8.3842","0.0016","12.598","0.002","77.91","0.003","82.342","0.003","82.971","0.003","554.52","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-methylimidazolium hydrogen glutarate]","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","SK3296","Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang","A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate","Acta Crystallographica Section C","2009","65","5","o217","o221","10.1107/S0108270109012530","","","0.71073","Mokα","","0.0628","0.0516","","","0.1466","0.1576","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017117","4.9383","0.0004","8.0682","0.0006","16.684","0.0013","96.88","0.001","92.794","0.001","106.611","0.001","630","0.08","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","2-methylimidazolium hydrogen adipate monohydrate","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","SK3296","Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang","A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate","Acta Crystallographica Section C","2009","65","5","o217","o221","10.1107/S0108270109012530","","","0.71073","Mokα","","0.0624","0.0495","","","0.1466","0.1592","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017118","9.4211","0.0016","10.949","0.003","12.565","0.003","66.477","0.005","69.288","0.003","69.139","0.003","1076.1","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-hydrogen <i>N</i>-(2-oxidobenzylidene)-DL-glutamato]bis[(isoquinoline)copper(II)] ethanol disolvate","","- C46 H48 Cu2 N4 O12 -","- C46 H48 Cu2 N4 O12 -","- C46 H48 Cu2 N4 O12 -","1","0.5","SK3299","Langer, Vratislav; Gyepesová, Dalma; Kohútová, Mária; Valent, Aladár","Dimeric (isoquinoline)(<i>N</i>-salicylidene-<small>D</small>,<small>L</small>-glutamato)copper(II) ethanol solvate","Acta Crystallographica Section C","2009","65","5","m208","m210","10.1107/S0108270109009731","","","0.71073","MoKα","","0.0809","0.0482","","","0.1079","0.1235","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017119","5.8903","0.0002","9.6929","0.0002","36.9988","0.0008","90","","90","","90","","2112.41","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Hydroxy-5β-methyl-20-oxo-19-norpregn-9(10)-en-3β-yl acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","SK3302","Pinto, R. M. A.; Ramos Silva, M.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","6β-Hydroxy-5β-methyl-20-oxo-19-norpregn-9(10)-en-3β-yl acetate","Acta Crystallographica Section C","2009","65","5","o214","o216","10.1107/S0108270109010233","","","0.71073","MoKα","","0.0623","0.044","","","0.1211","0.1331","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017120","11.7106","0.0008","16.9105","0.0008","4.1894","0.0003","90","","90","","90","","829.64","0.09","290","2","290","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-chloro-1-hydroxynaphthalene","4-Chloro-1-naphthol","","- C10 H7 Cl O -","- C10 H7 Cl O -","- C40 H28 Cl4 O4 -","4","1","SK3305","Rozycka-Sokolowska, Ewa; Marciniak, Bernard","4-Chloro-1-naphthol","Acta Crystallographica Section C","2009","65","5","o207","o210","10.1107/S0108270109010063","","","0.71073","MoKα","","0.0447","0.0273","","","0.0634","0.0785","","","","","","1.128","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017121","6.4948","0.0004","28.7194","0.0016","7.1503","0.0004","90","","99.548","0.001","90","","1315.25","0.13","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one","","- C9 H4 O S8 -","- C9 H4 O S8 -","- C36 H16 O4 S32 -","4","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.0431","0.0289","","","0.0593","0.0643","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017122","6.4762","0.0004","28.7451","0.0016","7.0792","0.0004","90","","99.322","0.001","90","","1300.45","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one","","- C9 H4 O S8 -","- C9 H4 O S8 -","- C36 H16 O4 S32 -","4","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.04","0.0286","","","0.0578","0.0614","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017123","7.3308","0.0001","12.7832","0.0003","28.0416","0.0006","90","","90","","90","","2627.81","0.09","296","","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-\ tetrathiapentalen-2-one","","- C9 H2 O S8 -","- C9 H2 O S8 -","- C72 H16 O8 S64 -","8","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.0375","0.0269","","","0.0653","0.0703","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017124","5.2201","0.0008","6.973","0.0013","7.3252","0.0015","90","","91.66","0.02","90","","266.52","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","germanium tellurate(IV)","","- Ge O6 Te2 -","- Ge O6 Te2 -","- Ge2 O12 Te4 -","2","0.5","SQ3186","Jennene Boukharrata, Nefla; Thomas, Philippe; Laval, Jean-Paul","GeTe~2~O~6~, a germanium tellurate(IV) with an open framework","Acta Crystallographica Section C","2009","65","5","i23","i26","10.1107/S0108270109010488","","","0.71073","MoKα","","0.0788","0.0433","","","0.0496","0.0545","","","","","","1.048","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017125","8.2797","0.0017","12.741","0.002","13.371","0.002","90","","90","","90","","1410.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyridinium dichromate","dipyridinium dichromate(VI)","","- C10 H12 Cr2 N2 O7 -","- C10 H12 Cr2 N2 O7 -","- C40 H48 Cr8 N8 O28 -","4","1","SU3032","Lennartson, Anders; Håkansson, Mikael","Dipyridinium dichromate: an achiral compound forming chiral crystals","Acta Crystallographica Section C","2009","65","5","m182","m184","10.1107/S0108270109011469","","","0.71073","MoKα","","0.0278","0.0259","","","0.0621","0.0628","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017126","6.9425","0.0014","12.366","0.003","29.22","0.006","90","","90","","90","","2508.6","0.9","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,4'-(1,1,1,3,3,3-hexafluoroisopropylidene)diphthalic acid hexahydrate","","- C19 H22 F6 O14 -","- C19 H22 F6 O14 -","- C76 H88 F24 O56 -","4","0.5","EG3011","Zhou, Yan; Zhao, Wen-Na; Han, Lei","A novel (3,4,10)-connected three-dimensional hydrogen-bonded supramolecular network containing a cyclic water hexamer","Acta Crystallographica Section C","2009","65","6","o287","o289","10.1107/S0108270109010658","","","0.71073","MoKα","","0.0788","0.0514","","","0.0989","0.1089","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017127","10.788","0.002","12.702","0.002","15.784","0.003","90","","90","","90","","2162.9","0.7","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","poly[[hexa-μ~3~-acetato-trimanganese(II)] acetonitrile solvate]","","- C14 H21 Mn3 N O12 -","- C14 H21 Mn3 N O12 -","- C56 H84 Mn12 N4 O48 -","4","0.5","EG3016","Fielden, John; Kögerler, Paul","Mn~3~(OAc)~6~·CH~3~CN: a porous dehydrated manganese(II) acetate","Acta Crystallographica Section C","2009","65","6","m224","m227","10.1107/S0108270109014693","","","0.71073","MoKα","","0.0384","0.0267","","","0.0635","0.0705","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017128","17.548","0.009","17.548","0.009","7.898","0.004","90","","90","","120","","2106.2","1.9","110","2","110","2","","","","","","","","6","R 3 :H","R 3","146","","amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4- ene)tetracopper(II)","","- C15 H30 Cl6 Cu4 N10 O -","- C15 H30 Cl6 Cu4 N10 O -","- C45 H89.9999 Cl18 Cu12 N30 O3 -","3","0.333333","FA3183","Chiarella, Gina M.; Melgarejo, Doris Y.; Fackler Jr, John P.","The neutral cluster amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II)","Acta Crystallographica Section C","2009","65","6","m228","m230","10.1107/S0108270109015054","","","0.71073","MoKα","","0.0373","0.0325","","","0.0615","0.0628","","","","","","0.935","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017129","5.8382","0.0014","12.582","0.003","13.279","0.003","106.928","0.003","97.777","0.003","101.077","0.003","896.6","0.4","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","3-[1-(4-Sulfamoylphenyl)-5-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl]propanoic acid","","- C19 H19 N3 O4 S -","- C19 H19 N3 O4 S -","- C38 H38 N6 O8 S2 -","2","1","FN3023","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[1-(4-Sulfamoylphenyl)-5-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl]propanoic acid and 3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1<i>H</i>-pyrazol-3-yl]propanoic acid‒dichloromethane‒diethyl ether‒water (2/0.72/1/1)","Acta Crystallographica Section C","2009","65","6","o296","o299","10.1107/S010827010901676X","","","0.71073","MoKα","","0.0452","0.0374","","","0.102","0.109","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017130","49.255","0.015","11.702","0.003","16.181","0.005","90","","95.567","0.004","90","","9282","5","115","2","115","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis{3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1<i>H</i>-pyrazol-3-yl]propanoic acid} dichloromethane 0.72-solvate diethyl ether solvate monohydrate","","- C20.36 H24.72 Br Cl0.72 N3 O5 S -","- C20.361 H22.722 Br Cl0.722 N3 O5 S -","- C325.776 H363.552 Br16 Cl11.552 N48 O80 S16 -","16","2","FN3023","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[1-(4-Sulfamoylphenyl)-5-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl]propanoic acid and 3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1<i>H</i>-pyrazol-3-yl]propanoic acid–dichloromethane–diethyl ether–water (2/0.72/1/1)","Acta Crystallographica Section C","2009","65","6","o296","o299","10.1107/S010827010901676X","","","0.71073","MoKα","","0.0526","0.0371","","","0.0971","0.1047","","","","","","1.015","","","","has coordinates,has Fobs","278158","2022-09-26","15:28:11",""
"2017131","9.1105","0.0005","9.1105","0.0005","16.2506","0.0007","90","","90","","120","","1168.11","0.1","100","2","100","2","","","","","","","","5","P 32","P 32","145","Streptidinium sulfate monohydrate","{[(1<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)-2,4,5,6-tetrahydroxycyclohexane- 1,3-diyl]diimino}bis(aminomethaniminium) sulfate monohydrate","","- C8 H22 N6 O9 S -","- C8 H22 N6 O9 S -","- C24 H66 N18 O27 S3 -","3","1","GD3283","Leśniewska, Barbara; Jebors, Said; Coleman, Anthony W.; Suwińska, Kinga","Streptidinium sulfate monohydrate","Acta Crystallographica Section C","2009","65","6","o290","o292","10.1107/S0108270109015650","","","0.71073","MoKα","","0.0487","0.0456","","","0.098","0.1003","","","","","","1.05","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2017132","9.342","0.0005","12.4483","0.0008","11.4167","0.0007","90","","108.801","0.0017","90","","1256.83","0.13","100","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-carbamoylpyridinium hydrogen chloranilate","2-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C48 H32 Cl8 N8 O20 -","4","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0518","0.0397","","","0.0996","0.1114","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017133","9.9861","0.0005","6.1438","0.0003","11.6027","0.0005","90","","114.858","0.0016","90","","645.9","0.05","100","1","","","","","","","","","","5","P 1 c 1","P -2yc","7","3-carbamoylpyridinium hydrogen chloranilate","3-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0382","0.0328","","","0.1119","0.1492","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017134","12.9482","0.0004","13.4993","0.0005","7.0726","0.0003","90","","92.013","0.0011","90","","1235.47","0.08","100","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","4-carbamoylpyridinium hydrogen chloranilate","4-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C48 H32 Cl8 N8 O20 -","4","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0255","0.0215","","","0.0559","0.0608","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017135","7.1194","0.0003","13.669","0.0006","7.2695","0.0004","90","","92.859","0.006","90","","706.55","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-acetylresorcinol","1-(2,4-dihydroxyphenyl)ethanone","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","GD3292","Jones, Peter G.; Mangalagiu, Ionel I.","Concomitant polymorphism and conformational isomerism in 4-acetylresorcinol","Acta Crystallographica Section C","2009","65","6","o300","o302","10.1107/S0108270109017715","","","0.71073","MoKα","","0.0609","0.0399","","","0.0996","0.1048","","","","","","0.946","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017136","6.764","0.0003","13.1193","0.0006","23.9936","0.0009","90","","90","","90","","2129.17","0.16","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-acetylresorcinol","1-(2,4-dihydroxyphenyl)ethanone","","- C8 H8 O3 -","- C8 H8 O3 -","- C96 H96 O36 -","12","3","GD3292","Jones, Peter G.; Mangalagiu, Ionel I.","Concomitant polymorphism and conformational isomerism in 4-acetylresorcinol","Acta Crystallographica Section C","2009","65","6","o300","o302","10.1107/S0108270109017715","","","1.54184","CuKα","","0.0326","0.0303","","","0.0808","0.0828","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017137","16.349","0.003","14.051","0.002","13.625","0.003","90","","99.308","0.018","90","","3088.7","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>^4^-Methyl-<i>N</i>^4^-(2-methylphenyl)-1<i>H</i>-pyrazolo[3,4- <i>d</i>]pyrimidine-4,6-diamine‒ethanol‒hydrazine (1/0.865/0.135)","","- C14.73 H19.73 N6.27 O0.87 -","- C14.73 H19.73 N6.27 O0.865 -","- C117.84 H157.84 N50.16 O6.92 -","8","1","GG3199","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","<i>N</i>^4^-Methyl-<i>N</i>^4^-(2-methylphenyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine‒ethanol‒hydrazine (1/0.865/0.135): hydrogen-bonded ribbons containing four independent ring types","Acta Crystallographica Section C","2009","65","6","o293","o295","10.1107/S0108270109016333","","","0.71073","MoKα","","0.1295","0.0654","","","0.1565","0.1909","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017138","7.9364","0.0001","9.0864","0.0002","8.248","0.0001","90","","95.734","0.002","90","","591.814","0.017","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquadichloridobis(1<i>H</i>-imidazole)manganese(II)","","- C6 H12 Cl2 Mn N4 O2 -","- C6 H12 Cl2 Mn N4 O2 -","- C12 H24 Cl4 Mn2 N8 O4 -","2","0.5","SK3300","Hachuła, Barbara; Pedras, Monika; Pentak, Danuta; Nowak, Maria; Kusz, Joachim; Borek, Jerzy","Diaquadichloridobis(1<i>H</i>-imidazole)manganese(II) at 100 K","Acta Crystallographica Section C","2009","65","6","m215","m218","10.1107/S0108270109015303","","","0.71073","MoKα","","0.0143","0.0139","","","0.0377","0.038","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017139","20.655","0.006","5.4","0.001","17.653","0.003","90","","108.29","0.01","90","","1869.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(CYMB)2]","<i>trans</i>-bis{2-[(2-cyanoethyl)iminomethyl]phenolato}copper(II)","","- C20 H18 Cu N4 O2 -","- C20 H18 Cu N4 O2 -","- C80 H72 Cu4 N16 O8 -","4","0.5","SK3303","Corsini, Maddalena; Zanello, Piero; Cini, Renzo; Tamasi, Gabriella","X-ray structure and density functional theory studies of an unexpected product: <i>trans</i>-bis{2-[(2-cyanoethyl)iminomethyl]phenolato}copper(II)","Acta Crystallographica Section C","2009","65","6","m219","m223","10.1107/S0108270109014437","","","0.71073","MoKα","","0.0663","0.0474","","","0.1262","0.1402","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017140","7.8101","0.0005","10.469","0.0012","5.2638","0.0003","90","","90.99","0.007","90","","430.32","0.06","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","trans-Decalin","<i>trans</i>-Decahydronaphthalene","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","SK3312","Eibl, Stefan; Fitch, Andrew; Brunelli, Michela; Evans, Alexander Dominic; Pattison, Philip; Plazanet, Marie; Johnson, Mark Robert; Alba-Simionesco, Christiane; Schober, Helmut","<i>trans</i>-Decahydronaphthalene (decalin) from powder diffraction data","Acta Crystallographica Section C","2009","65","6","o278","o280","10.1107/S0108270109013365","powder diffraction","","0.694","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017141","6.6749","0.0004","5.0712","0.0005","19.7422","0.0004","90","","99.996","0.002","90","","658.12","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Amino-3-methyluracil-5-carbaldehyde","6-amino-5-formyl-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","SK3315","de la Torre, José M.; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","Nonmerohedrally twinned 6-amino-3-methyluracil-5-carbaldehyde: a hydrogen-bonded ribbon containing four types of ring","Acta Crystallographica Section C","2009","65","6","o281","o283","10.1107/S0108270109013493","","","0.71073","MoKα","","0.0781","0.0584","","","0.1404","0.152","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017142","4.7869","0.0007","9.9558","0.0015","28.423","0.004","90","","90","","90","","1354.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Phenylalanine‒D-2-aminobutyric acid (1/1)","L-Phenylalanine‒D-2-ammoniobutyrate (1/1)","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0482","0.042","","","0.1163","0.12","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017143","4.7624","0.0008","9.9569","0.0017","30.935","0.006","90","","90","","90","","1466.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanine‒D-norvaline (1/1)","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C56 H88 N8 O16 -","4","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0472","0.0401","","","0.0901","0.0925","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017144","10.11","0.002","4.7064","0.0009","16.686","0.003","90","","106.663","0.002","90","","760.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-methionine (1/1)","","- C14 H22 N2 O4 S -","- C14 H22 N2 O4 S -","- C28 H44 N4 O8 S2 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0409","0.0374","","","0.0971","0.0985","","","","","","1.183","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017145","5.1861","0.0005","29.698","0.003","5.4158","0.0005","90","","110.372","0.001","90","","781.95","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-leucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C30 H48 N4 O8 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0416","0.036","","","0.0857","0.0889","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017146","5.2317","0.0012","5.4232","0.0012","14.459","0.003","85.936","0.003","85.343","0.003","70.424","0.002","384.83","0.15","296","2","296","2","","","","","","","","4","P 1","P 1","1","","L-Phenylalanine‒D-isoleucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","1","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0678","0.0455","","","0.0914","0.0991","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017147","5.2436","0.0005","28.949","0.003","5.4069","0.0005","90","","109.747","0.001","90","","772.49","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-alloisoleucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C30 H48 N4 O8 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0358","0.0344","","","0.0866","0.0876","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017148","12.1969","0.0015","13.401","0.0013","6.6071","0.0008","90","","92.134","0.011","90","","1079.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-7-(2-thienyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)- dione","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","SK3317","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","3-Methyl-7-(2-thienyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione: π-stacked bilayers built from N—H···O, C—H···O and C—H···π hydrogen bonds","Acta Crystallographica Section C","2009","65","6","o284","o286","10.1107/S0108270109014097","","","0.71073","MoKα","","0.0795","0.046","","","0.1083","0.1291","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017149","6.9807","0.0005","9.1462","0.0006","11.2512","0.0006","107.357","0.005","105.037","0.005","102.028","0.006","629.54","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquachloridocopper(II)]-μ-<i>N</i>-(6-amino-3-methyl- 5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)glycinato] monohydrate]","","- C14 H24 Cl2 Cu2 N10 O12 -","- C14 H24 Cl2 Cu2 N10 O12 -","- C14 H24 Cl2 Cu2 N10 O12 -","1","0.5","SK3322","Cobo, Justo; López, Rafael; Arranz, Paloma; Glidewell, Christopher","<i>catena</i>-Poly[[[aquachloridocopper(II)]-μ-<i>N</i>-(6-amino-3-methyl-5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)glycinato] monohydrate] redetermined at 120K: a highly polarized ligand within coordination polymer chains linked by hydrogen bonds","Acta Crystallographica Section C","2009","65","6","m231","m234","10.1107/S0108270109018149","","","0.71073","MoKα","","0.0419","0.0294","","","0.0754","0.0796","","","","","","1.036","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017150","20.038","0.004","7.3732","0.0012","23.444","0.003","90","","106.007","0.013","90","","3329.4","1","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-Benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","","- C20 H23 N3 -","- C20 H23 N3 -","- C160 H184 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1014","0.052","","","0.1058","0.1291","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017151","10.7749","0.0013","10.7749","0.0013","30.868","0.003","90","","90","","90","","3583.7","0.7","120","2","120","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","3-<i>tert</i>-butyl-5-(4-methylbenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C21 H25 N3 -","- C21 H25 N3 -","- C168 H200 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1056","0.0515","","","0.0994","0.1188","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017152","20.824","0.003","7.3429","0.0011","24.225","0.004","90","","97.275","0.011","90","","3674.4","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-butyl-1-phenyl-5-[4-(trifluoromethyl)benzyl]-1<i>H</i>-pyrazole","","- C21 H22 F3 N3 -","- C21 H22 F3 N3 -","- C168 H176 F24 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1933","0.0825","","","0.1565","0.1961","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017153","9.385","0.003","9.7584","0.0019","10.6014","0.0017","112.459","0.013","95.721","0.018","99.735","0.019","869.8","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-5-(4-chlorobenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C20 H22 Cl N3 -","- C20 H22 Cl N3 -","- C40 H44 Cl2 N6 -","2","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.0798","0.0452","","","0.0981","0.1129","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017154","20.1981","0.0006","7.396","0.0009","24.171","0.004","90","","98.634","0.007","90","","3569.9","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(4-bromobenzyl)-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","","- C20 H22 Br N3 -","- C20 H22 Br N3 -","- C160 H176 Br8 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.0795","0.0477","","","0.1204","0.1369","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017155","9.6594","0.0011","12.3991","0.0011","15.4338","0.0015","90","","97.744","0.008","90","","1831.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-<i>tert</i>-butyl-5-(4-nitrobenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1155","0.0619","","","0.1411","0.169","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017156","10.1533","0.0011","11.1645","0.001","20.927","0.002","84.82","0.008","82.988","0.008","63.153","0.007","2099","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-5-(3,4,5-trimethoxybenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C23 H29 N3 O3 -","- C23 H29 N3 O3 -","- C92 H116 N12 O12 -","4","2","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1531","0.0644","","","0.1348","0.174","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017157","10.3593","0.0019","17.437","0.003","11.532","0.002","90","","114.121","0.003","90","","1901.2","0.6","298","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[tetraaquazinc(II)]-μ- 4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate]","","- C12 H20 N6 O9 S Zn -","- C12 H20 N6 O9 S Zn -","- C48 H80 N24 O36 S4 Zn4 -","4","1","SQ3191","Wang, Hai-Ying; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate] and poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","Acta Crystallographica Section C","2009","65","6","m211","m214","10.1107/S0108270109015066","","","0.71073","MoKα","","0.0542","0.0448","","","0.1115","0.1165","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017158","18.2543","0.0017","19.8942","0.0018","20.7455","0.0019","90","","90","","90","","7533.8","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","","- C24 H40 Cu N14 O16 -","- C24 H40 Cu N14 O16 -","- C192 H320 Cu8 N112 O128 -","8","1","SQ3191","Wang, Hai-Ying; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate] and poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","Acta Crystallographica Section C","2009","65","6","m211","m214","10.1107/S0108270109015066","","","0.71073","MoKα","","0.0477","0.0362","","","0.089","0.0963","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017159","20.385","0.003","17.838","0.003","13.038","0.003","90","","101.89","0.03","90","","4639.3","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-aminopyridinium) hydrogen [(5-methyl-2-pyridinio)aminomethylene]diphosphonate 2.4-hydrate","","- C17 H28.8 N6 O8.4 P2 -","- C17 H27.606 N6 O8.4015 P2 -","- C136 H220.848 N48 O67.212 P16 -","8","1","TR3053","Matczak-Jon, Ewa; Ślepokura, Katarzyna; Kafarski, Paweł; Skrzyńska, Izabela; Jon, Marek","Conformational isomers of the [(5-methyl-2-pyridinio)aminomethylene]diphosphonate dianion and [(5-methyl-2-pyridyl)aminomethylene]diphosphonate trianion in salts with 4-aminopyridine and ammonia","Acta Crystallographica Section C","2009","65","6","o261","o266","10.1107/S0108270109010683","","","0.71073","MoKα","","0.0443","0.0365","","","0.0974","0.1034","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017160","17.087","0.003","6.216","0.002","15.159","0.003","90","","109.84","0.03","90","","1514.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triammonium hydrogen [(5-methyl-2-pyridyl)aminomethylene]diphosphonate monohydrate","","- C7 H23 N5 O7 P2 -","- C7 H23 N5 O7 P2 -","- C28 H92 N20 O28 P8 -","4","1","TR3053","Matczak-Jon, Ewa; Ślepokura, Katarzyna; Kafarski, Paweł; Skrzyńska, Izabela; Jon, Marek","Conformational isomers of the [(5-methyl-2-pyridinio)aminomethylene]diphosphonate dianion and [(5-methyl-2-pyridyl)aminomethylene]diphosphonate trianion in salts with 4-aminopyridine and ammonia","Acta Crystallographica Section C","2009","65","6","o261","o266","10.1107/S0108270109010683","","","0.71073","MoKα","","0.0482","0.0317","","","0.0827","0.0925","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017161","13.729","0.003","14.829","0.003","10.679","0.002","90","","92.749","0.003","90","","2171.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","{2-[2-(η^5^-cyclopentadienyl)-2-methylpropyl]-1<i>H</i>-imidazolyl- κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido-κ<i>N</i>)titanium(IV)","","- C20 H34 N4 Ti -","- C20 H34 N4 Ti -","- C80 H136 N16 Ti4 -","4","1","BG3099","Wang, Xiaowu; Nie, Wanli; Ge, Fang; Borzov, Maxim V.","Two 18ē Ti^IV^ η^5^-Cp-tris(<i>sec</i>-amido)-type complexes derived from 1<i>H</i>-imidazol-2-yl side-chain functionalized cyclopentadienes","Acta Crystallographica Section C","2009","65","7","m255","m259","10.1107/S010827010902112X","","","0.71073","MoKα","","0.0512","0.0366","","","0.1","0.1055","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017162","9.7472","0.0015","14.469","0.002","18.006","0.003","89.362","0.002","76.965","0.002","72.161","0.002","2350.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>SR</i>)-{2-[(η^5^-cyclopentadienyl)(phenyl)methyl]-1<i>H</i>- imidazolyl-κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido- κ<i>N</i>)titanium(IV)","","- C23 H32 N4 Ti -","- C23 H32 N4 Ti -","- C92 H128 N16 Ti4 -","4","2","BG3099","Wang, Xiaowu; Nie, Wanli; Ge, Fang; Borzov, Maxim V.","Two 18ē Ti^IV^ η^5^-Cp-tris(<i>sec</i>-amido)-type complexes derived from 1<i>H</i>-imidazol-2-yl side-chain functionalized cyclopentadienes","Acta Crystallographica Section C","2009","65","7","m255","m259","10.1107/S010827010902112X","","","0.71073","MoKα","","0.0699","0.0413","","","0.1075","0.1157","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017163","14.5928","0.0002","9.8699","0.0002","16.0846","0.0003","90","","113.843","0.002","90","","2118.95","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(nitrato- k^2^<i>O</i>,<i>O</i>')nickel(II) nitrate","","- C20 H18 N8 Ni O6 -","- C20 H18 N8 Ni O6 -","- C80 H72 N32 Ni4 O24 -","4","1","BG3101","Černák, Juraj; Pavlová, Anna; Dušek, Michal; Fejfarová, Karla","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')nickel(II) nitrate","Acta Crystallographica Section C","2009","65","7","m260","m262","10.1107/S0108270109021131","","","0.71073","MoKα","","0.0306","0.0228","","","0.062","0.0641","","","","","","1.08","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017164","14.2218","0.0011","12.7866","0.001","10.8659","0.0008","90","","102.219","0.001","90","","1931.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[chlorido(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-\ κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II)]","","- C44 H34 Cl4 N6 Ni2 -","- C44 H34 Cl4 N6 Ni2 -","- C88 H68 Cl8 N12 Ni4 -","2","0.5","DN3115","Chen, Ying-Lin; Li, Ben-Zhen; Yang, Ping; Wu, Jian-Zhong","Di-μ-chlorido-bis[chlorido(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II)]: a supramolecular system constructed by C—H···Cl interactions","Acta Crystallographica Section C","2009","65","7","m238","m240","10.1107/S0108270109018812","","","0.71073","MoKα","","0.065","0.0369","","","0.0711","0.0792","","","","","","0.862","","","","has coordinates,has Fobs","201206","2020-10-21","18:00:00",""
"2017165","6.083","0.0009","10.8648","0.0016","9.6826","0.0014","90","","102.621","0.005","90","","624.47","0.16","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-methylpiperazinium (2<i>S</i>,3<i>S</i>)-tartrate dihydrate","","- C9 H22 N2 O8 -","- C9 H22 N2 O8 -","- C18 H44 N4 O16 -","2","1","EG3019","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:1 salts of (<i>S</i>)- and (<i>R</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2009","65","7","o357","o360","10.1107/S0108270109024093","","","0.71075","MoKα","","0.0195","0.0195","","","0.0499","0.05","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017166","6.1303","0.0002","11.3207","0.0005","18.357","0.0005","90","","90","","90","","1273.96","0.08","108","","108","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-methylpiperazinium (2<i>S</i>,3<i>S</i>)-tartrate dihydrate","","- C9 H22 N2 O8 -","- C9 H22 N2 O8 -","- C36 H88 N8 O32 -","4","1","EG3019","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:1 salts of (<i>S</i>)- and (<i>R</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2009","65","7","o357","o360","10.1107/S0108270109024093","","","0.71075","MoKα","","0.0222","0.0217","","","0.0592","0.0595","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017167","7.3214","0.0008","12.9466","0.0014","14.5178","0.0016","83.699","0.009","84.378","0.009","82.878","0.009","1352.3","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-poly[[bis[(triazacyclononane-κ^3^N,N',N'')copper(II)]- di-μ-cyanido-κ^4^N:C-palladate(II)-di-μ-cyanido-κ^4^C:N] dibromide bis[[(triazacyclononane-κ^3^N,N',N'')copper(II)]-μ-cyanido-κ^2^N:C- [dicyanidopalladate(II)]-μ-cyanido-κ^2^C:N] monohydrate]","","- C36 H62 Br2 Cu4 N24 O Pd3 -","- C36 H60 Br2 Cu4 N24 O Pd3 -","- C36 H60 Br2 Cu4 N24 O Pd3 -","1","0.5","EM3023","Kuchár, Juraj; Černák, Juraj","Two different one-dimensional structural motifs in [<i>catena</i>-{Cu(tacn)}~2~Pd(CN)~4~]Br~2~·[<i>catena</i>-Cu(tacn)Pd(CN)~4~]~2~·H~2~O (tacn is 1,4,7-triazacyclononane)","Acta Crystallographica Section C","2009","65","7","m246","m249","10.1107/S0108270109017107","","","0.71073","MoKα","","0.0573","0.0442","","","0.1082","0.1154","","","","","","1.029","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2017168","12.4648","0.0005","6.3096","0.0002","10.6032","0.0005","90","","103.269","0.004","90","","811.66","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dicopper(II) trihydroxide cyanoureate dihydrate","Poly[[μ-cyanoureato-tri-μ-hydroxido-dicopper(II)] dihydrate]","","- C2 H9 Cu2 N3 O6 -","- C2 H9 Cu2 N3 O6 -","- C8 H36 Cu8 N12 O24 -","4","1","EM3026","Chippindale, Ann M.; Hibble, Simon J.; Bilbé, Edward J.","Dicopper(II) trihydroxide cyanoureate dihydrate","Acta Crystallographica Section C","2009","65","7","i39","i41","10.1107/S0108270109020885","","","0.71073","MoKα","","0.0634","0.0308","","0.0267","0.0249","0.0249","","","","","","1.1139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017169","7.6399","0.0012","10.7925","0.0017","11.4616","0.0019","73.224","0.003","74.613","0.002","71.287","0.003","841.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[tetraaquabis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)] [[diaquabis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)]- μ-benzene-1,2,4,5-tetracarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C22 H38 N8 Ni2 O18 -","- C22 H38 N8 Ni2 O18 -","- C22 H38 N8 Ni2 O18 -","1","0.5","EM3027","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric structures with a benzene-1,2,4,5-tetracarboxylate ligand acting in μ~2~- and μ~4~-bridging modes","Acta Crystallographica Section C","2009","65","7","m241","m245","10.1107/S0108270109019490","","","0.71073","MoKα","","0.07","0.0494","","","0.1139","0.1248","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017170","8.9122","0.0018","11.045","0.002","11.45","0.002","83.381","0.003","74.579","0.003","74.162","0.003","1044.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[[(μ~4~-benzene-1,2,4,5-tetracarboxylato- κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^5^)octakis(1<i>H</i>- pyrazole-κ<i>N</i>^2^)dicobalt(II)] tetrahydrate]","","- C34 H42 Co2 N16 O12 -","- C34 H42 Co2 N16 O12 -","- C34 H42 Co2 N16 O12 -","1","0.5","EM3027","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric structures with a benzene-1,2,4,5-tetracarboxylate ligand acting in μ~2~- and μ~4~-bridging modes","Acta Crystallographica Section C","2009","65","7","m241","m245","10.1107/S0108270109019490","","","0.71073","MoKα","","0.0812","0.0527","","","0.1119","0.123","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017171","10.7138","0.0007","7.1069","0.0005","19.8033","0.0013","90","","104.76","0.003","90","","1458.1","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","stilbene","1,2,3-Trimethoxy-4-[(<i>E</i>)-2-phenylvinyl]benzene","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","FA3186","Sopková-de Oliveira Santos, Jana; Bazin, Marc-Antoine; Lohier, Jean-François; El Kihel, Laīla; Rault, Sylvain","1,2,3-Trimethoxy-4-[(<i>E</i>)-2-phenylvinyl]benzene and (<i>E</i>,<i>E</i>)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene","Acta Crystallographica Section C","2009","65","7","o311","o313","10.1107/S0108270109019702","","","0.71073","MoKα","","0.0467","0.038","","","0.1115","0.1217","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017172","10.2899","0.0004","7.0186","0.0003","13.9897","0.0005","90","","102.138","0.002","90","","987.76","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","0.5","FA3186","Sopková-de Oliveira Santos, Jana; Bazin, Marc-Antoine; Lohier, Jean-François; El Kihel, Laīla; Rault, Sylvain","1,2,3-Trimethoxy-4-[(<i>E</i>)-2-phenylvinyl]benzene and (<i>E</i>,<i>E</i>)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene","Acta Crystallographica Section C","2009","65","7","o311","o313","10.1107/S0108270109019702","","","0.71073","MoKα","","0.0634","0.0461","","","0.1224","0.1357","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017173","10.569","0.001","14.054","0.003","15.016","0.001","90","","105.95","0.03","90","","2144.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diphenic acid:pyridone","1,1'-Biphenyl-2,2'-dicarboxylic acid‒2-(1<i>H</i>)-pyridone (1/2)","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0817","0.062","","","0.1794","0.1999","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017174","9.838","0.002","10.085","0.002","14.016","0.003","89.77","0.03","74.9","0.03","62.764","0.002","1182.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diphenic acid:pyridone","1,1'-Biphenyl-2,2'-dicarboxylic acid‒4-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","1","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0619","0.0453","","","0.1243","0.1406","","","","","","0.913","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017175","11.415","0.002","10.957","0.002","19.66","0.003","90","","106.59","0.02","90","","2356.6","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diphenic acid:pyridone","1,1'-Biphenyl-2,2'-dicarboxylic acid‒6-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.11","0.0776","","","0.2454","0.2868","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017176","7.305","0.001","9.369","0.002","13.292","0.003","77.32","0.02","89.46","0.02","76.57","0.03","862.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexdiyne-1,6-diol‒1-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0611","0.0423","","","0.1212","0.1349","","","","","","0.978","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017177","8.64","0.002","10.203","0.002","11.403","0.003","106.71","0.03","111.54","0.02","95.87","0.02","870.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexdiyne-1,6-diol‒4-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0859","0.0429","","","0.1096","0.1311","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017178","10.634","0.002","11.484","0.002","28.574","0.004","90","","96.43","0.02","90","","3467.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4',4''-(ethane-1,1,1-triyl)triphenol‒6-methyl-2-(1<i>H</i>)-pyridone‒water (1/3/1)","","- C38 H41 N3 O7 -","- C38 H40.52 N3 O7 -","- C152 H162.08 N12 O28 -","4","1","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.089","0.0474","","","0.134","0.1608","","","","","","0.832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017179","5.4489","0.0001","5.4489","0.0001","35.4321","0.0009","90","","90","","120","","911.06","0.03","293","2","","","","","","","","","","5","R -3 m","-R 3 2""","166","","Dipotassium trimanganese(II) tetrakis(hydrogen phosphite)","","- H4 K2 Mn3 O12 P4 -","- H4 K2 Mn3 O12 P4 -","- H12 K6 Mn9 O36 P12 -","3","","FN3017","Hamchaoui, Farida; Alonzo, Véronique; Roisnel, Thierry; Rebbah, Houria; Le Fur, Eric","Dipotassium trimanganese(II) tetrakis(hydrogenphosphite), K~2~[Mn~3~(HPO~3~)~4~]","Acta Crystallographica Section C","2009","65","7","i33","i35","10.1107/S010827010901957X","","","0.71073","MoKα","","","0.0232","","","","0.0625","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017180","11.4985","0.0003","11.7771","0.0005","11.5999","0.0004","90","","99.807","0.002","90","","1547.89","0.09","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","vanadium hypophosphite","","- H12 O12 P6 V2 -","- H12 O12 P6 V2 -","- H48 O48 P24 V8 -","4","1","FN3018","Maouel, Hind A.; Alonzo, Véronique; Roisnel, Thierry; Rebbah, Houria; Le Fur, Eric","The first three-dimensional vanadium hypophosphite","Acta Crystallographica Section C","2009","65","7","i36","i38","10.1107/S0108270109021325","","","0.71073","MoKα","","","0.0529","","","","0.0905","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017181","7.1779","0.0006","13.2152","0.0012","12.5113","0.0011","90","","106.156","0.002","90","","1139.92","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","potassium cadmium metaborate","","- B3 Cd K O6 -","- B3 Cd K O6 -","- B24 Cd8 K8 O48 -","8","1","FN3024","Jin, Shifeng; Chai, Gemei; Liu, Jun; Wang, Wanyan; Chen, Xiaolong","The centrosymmetric metal metaborate KCdB~3~O~6~","Acta Crystallographica Section C","2009","65","7","i42","i44","10.1107/S0108270109021477","","","0.71073","MoKα","","0.0337","0.033","","","0.0921","0.0927","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017182","8.5762","0.0011","21.844","0.002","11.092","0.005","90","","110.512","0.017","90","","1946.2","1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(nitrato- κ<i>O</i>)copper(II)]-μ~2~-4,4'-dithiodipyridine-κ^2^<i>N</i>:<i>N</i>'] nitrate monohydrate]","","- C12 H20 Cu N6 O8 S2 -","- C12 H20 Cu N6 O8 S2 -","- C48 H80 Cu4 N24 O32 S8 -","4","1","GD3289","Seidel, Rüdiger W.; Oppel, Iris M.","<i>catena</i>-Poly[[[aqua(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II)]-μ-4,4'-dithiodipyridine-κ^2^<i>N</i>:<i>N</i>'] nitrate monohydrate]","Acta Crystallographica Section C","2009","65","7","m235","m237","10.1107/S0108270109015418","","","0.71073","MoKα","","0.0447","0.0337","","","0.0825","0.0876","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017183","11.892","0.0004","7.359","0.0002","15.886","0.001","90","","107.2","0.004","90","","1328.06","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzoyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-2-carbonitrile","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","GG3197","Ejsmont, Krzysztof; Joly, Jean-Pierre; Wenger, Emmanuel; Guillot, Benoit; Jelsch, Christian","4-Benzoyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-2-carbonitrile: refinement using a multipolar atom model","Acta Crystallographica Section C","2009","65","7","o342","o344","10.1107/S0108270109019544","","","0.71073","MoKα","","0.117","0.0609","","","0.0219","0.0231","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017184","14.3816","0.0002","14.7626","0.0002","20.1025","0.0003","90","","90","","90","","4267.96","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-D-xylopyranosylamino)- 1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate","","- C18 H23.13 N3 O10.065 -","- C18 H23.13 N3 O10.065 -","- C144 H185.04 N24 O80.52 -","8","2","GG3202","Cobo, Justo; Nogueras, Manuel; de la Torre, José M.; Glidewell, Christopher","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate and 2-methylsulfanyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde: hydrogen-bonded structures in one or three dimensions","Acta Crystallographica Section C","2009","65","7","o321","o325","10.1107/S0108270109019374","","","0.71073","MoKα","","0.0382","0.0329","","","0.0854","0.088","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017185","6.9294","0.0001","10.7415","0.0002","26.4825","0.0005","90","","90","","90","","1971.15","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,6-dihydropyrimidine-5-carbaldehyde","","- C17 H21 N3 O9 S -","- C17 H21 N3 O9 S -","- C68 H84 N12 O36 S4 -","4","1","GG3202","Cobo, Justo; Nogueras, Manuel; de la Torre, José M.; Glidewell, Christopher","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate and 2-methylsulfanyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde: hydrogen-bonded structures in one or three dimensions","Acta Crystallographica Section C","2009","65","7","o321","o325","10.1107/S0108270109019374","","","0.71073","MoKα","","0.0432","0.0377","","","0.0933","0.0964","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017186","8.87","0.0015","10.004","0.003","12.87","0.002","69.993","0.019","70.598","0.014","67.556","0.019","964.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","azido[2-(diphenylphosphino)benzaldehyde semicarbazonato-κ^2^<i>P</i>,<i>N</i>^1^,<i>O</i>]nickel(II)","","- C20 H17 N6 Ni O P -","- C20 H17 N6 Ni O P -","- C40 H34 N12 Ni2 O2 P2 -","2","1","GZ3164","Novaković, Sladjana B.; Bogdanović, Goran A.; Brčeski, Ilija D.; Leovac, Vukadin M.","Different intermolecular interactions in azido[2-(diphenylphosphino)benzaldehyde semicarbazonato-κ^2^<i>P</i>,<i>N</i>^1^,<i>O</i>]nickel(II)","Acta Crystallographica Section C","2009","65","7","m263","m265","10.1107/S0108270109021970","","","0.71073","MoKα","","0.0919","0.059","","","0.1577","0.1691","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017187","26.015","0.005","12.094","0.002","8.4579","0.0017","90","","108.91","0.03","90","","2517.4","0.9","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[diaqua(μ~3~-2,2-dimethylmalonato)cadmium(II)] tetrahydrate]","","- C5 H18 Cd O10 -","- C5 H18 Cd O10 -","- C40 H144 Cd8 O80 -","8","1","KU3007","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[diaqua(μ~3~-2,2-dimethylmalonato)cadmium(II)] tetrahydrate]","Acta Crystallographica Section C","2009","65","7","m266","m268","10.1107/S0108270109021441","","","0.71073","MoKα","","0.0288","0.0262","","","0.0691","0.0703","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017188","8.7737","0.001","10.4982","0.0011","11.7877","0.0012","98.463","0.008","101.314","0.008","104.75","0.008","1007.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>p</i>-phenylenebis(2-oxo-3-phenyl-1,2-dihydropyrido[1,2- <i>a</i>]pyrimidin-5-ium-4-olate)‒<i>N</i>-methylpyrrolidone‒propan-2-ol (1/2/1)","","- C47 H48 N6 O7 -","- C47 H48 N6 O7 -","- C47 H48 N6 O7 -","1","0.5","LN3130","Brüning, Jürgen; Bolte, Michael; Schmidt, Martin U.","Three solvates of a bis-mesoionic fluorescent yellow pigment","Acta Crystallographica Section C","2009","65","7","o352","o356","10.1107/S0108270109018952","","","0.71073","MoKα","","0.0688","0.0569","","","0.1702","0.1808","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017189","8.8137","0.0008","10.1565","0.0009","12.73","0.0011","99.212","0.007","99.567","0.007","105.102","0.007","1059.84","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>p</i>-phenylenebis(2-oxo-3-phenyl-1,2-dihydropyrido[1,2- <i>a</i>]pyrimidin-5-ium-4-olate)‒<i>N</i>-methylpyrrolidone (1/3)","","- C49 H49 N7 O7 -","- C49 H49 N7 O7 -","- C49 H49 N7 O7 -","1","0.5","LN3130","Brüning, Jürgen; Bolte, Michael; Schmidt, Martin U.","Three solvates of a bis-mesoionic fluorescent yellow pigment","Acta Crystallographica Section C","2009","65","7","o352","o356","10.1107/S0108270109018952","","","0.71073","MoKα","","0.0925","0.0799","","","0.2138","0.2229","","","","","","1.199","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017190","5.7853","0.0006","15.2219","0.0017","19.198","0.002","75.321","0.009","87.393","0.008","84.74","0.009","1628.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>p</i>-phenylenebis(2-oxo-3-phenyl-1,2-dihydropyrido[1,2- <i>a</i>]pyrimidin-5-ium-4-olate)-<i>N</i>-methylpyrrolidone‒butan-1-ol (2/1/2)","","- C40.5 H36.5 N4.5 O5.5 -","- C34 H22 N4 O4 -","- C68 H44 N8 O8 -","2","1","LN3130","Brüning, Jürgen; Bolte, Michael; Schmidt, Martin U.","Three solvates of a bis-mesoionic fluorescent yellow pigment","Acta Crystallographica Section C","2009","65","7","o352","o356","10.1107/S0108270109018952","","","0.71073","MoKα","","0.1534","0.0812","","","0.1848","0.2179","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017191","10.6492","0.001","20.914","0.002","11.3422","0.0011","90","","109.662","0.002","90","","2378.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(μ-benzene-1,2,4,5-tetracarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[aquabis(2,2-methylpropane-1,3-diamine- κ^2^<i>N</i>,<i>N</i>')nickel(II)] methanol disolvate tetrahydrate","","- C32 H78 N8 Ni2 O16 -","- C32 H78 N8 Ni2 O16 -","- C64 H156 N16 Ni4 O32 -","2","0.5","LN3133","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric nickel(II) complexes with aromatic benzene-1,2,4,5-tetracarboxylate and pyridine-2,5-dicarboxylate linkers","Acta Crystallographica Section C","2009","65","7","m250","m254","10.1107/S0108270109021404","","","0.71073","MoKα","","0.0861","0.0559","","","0.1319","0.1456","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017192","12.269","0.003","13.622","0.003","15.171","0.004","105.25","0.03","98.02","0.02","111.25","0.03","2200.8","1.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[bis(2,2-methylpropane-1,3-amine- κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-pyridine-2,5-dicarboxylato- κ^3^O^5^:N,O^2^-[(2,2-methylpropane-1,3-amine- κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-pyridine-2,5-dicarboxylato- κ^3^N,O^2^:O^5^]octahydrate]","","- C29 H64 N8 Ni2 O16 -","- C29 H48 N8 Ni2 O16 -","- C58 H96 N16 Ni4 O32 -","2","1","LN3133","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric nickel(II) complexes with aromatic benzene-1,2,4,5-tetracarboxylate and pyridine-2,5-dicarboxylate linkers","Acta Crystallographica Section C","2009","65","7","m250","m254","10.1107/S0108270109021404","","","0.71073","MoKα","","0.0927","0.0602","","","0.1698","0.1917","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017193","8.5756","0.0006","11.0381","0.0008","11.2005","0.0008","100.426","0.001","103.123","0.001","99.66","0.001","991.04","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C36 H40 O20 S2 -","2","1","SF3106","Manoj, K.; Gonnade, R. G.; Bhadbhade, M. M.; Shashidhar, M. S.","Dipolar S=O···C=O and C—H···O interactions in the molecular organization of 4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthoesters","Acta Crystallographica Section C","2009","65","7","o335","o338","10.1107/S0108270109017211","","","0.71073","MoKα","","0.0456","0.0413","","","0.1103","0.1151","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017194","12.3019","0.0014","8.2155","0.001","23.551","0.003","90","","91.306","0.002","90","","2379.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthobenzoate","","- C24 H24 O10 S -","- C24 H24 O10 S -","- C96 H96 O40 S4 -","4","1","SF3106","Manoj, K.; Gonnade, R. G.; Bhadbhade, M. M.; Shashidhar, M. S.","Dipolar S=O···C=O and C—H···O interactions in the molecular organization of 4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthoesters","Acta Crystallographica Section C","2009","65","7","o335","o338","10.1107/S0108270109017211","","","0.71073","MoKα","","0.0818","0.0558","","","0.1135","0.1234","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017195","5.6426","0.0011","17.512","0.003","11.323","0.002","90","","94.36","0.01","90","","1115.6","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-amino-5-chloropyridinium trichloroacetate","","- C7 H6 Cl4 N2 O2 -","- C7 H6 Cl4 N2 O2 -","- C28 H24 Cl16 N8 O8 -","4","1","SK3318","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded network in the trichloroacetate salts of 2-amino-5-chloropyridinium and 2-methyl-5-nitroanilinium monohydrate","Acta Crystallographica Section C","2009","65","7","o339","o341","10.1107/S0108270109021490","","","0.71073","MoKα","","0.0522","0.0289","","","0.045","0.0473","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017196","6.981","0.0014","8.3611","0.0017","12.229","0.002","103.74","0.01","92.29","0.01","94.77","0.01","689.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-methyl-5-nitroanilinium trichloroacetate monohydrate","","- C9 H11 Cl3 N2 O5 -","- C9 H11 Cl3 N2 O5 -","- C18 H22 Cl6 N4 O10 -","2","1","SK3318","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded network in the trichloroacetate salts of 2-amino-5-chloropyridinium and 2-methyl-5-nitroanilinium monohydrate","Acta Crystallographica Section C","2009","65","7","o339","o341","10.1107/S0108270109021490","","","0.71073","MoKα","","0.0764","0.0576","","","0.1186","0.1313","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017197","18.9692","0.0018","7.8092","0.0004","19.5944","0.0019","90","","112.213","0.004","90","","2687.2","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-aminopyridinium 4-aminobenzoate dihydrate","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C96 H136 N24 O32 -","8","2","SK3319","Jebas, Samuel Robinson; Sinthiya, A.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter; Raj, S. Alfred Cecil","4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate","Acta Crystallographica Section C","2009","65","7","o361","o364","10.1107/S0108270109021106","","","1.54178","CuKα","","0.0585","0.0548","","","0.149","0.1555","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017198","11.9645","0.0017","8.2635","0.0005","11.305","0.003","90","","111.854","0.007","90","","1037.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminopyridinium nicotinate","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","SK3319","Jebas, Samuel Robinson; Sinthiya, A.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter; Raj, S. Alfred Cecil","4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate","Acta Crystallographica Section C","2009","65","7","o361","o364","10.1107/S0108270109021106","","","1.54178","CuKα","","0.0634","0.0617","","","0.2173","0.2199","","","","","","1.128","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017199","27.0927","0.0008","9.6631","0.0004","14.4579","0.0006","90","","117.925","0.002","90","","3344.3","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(3,4,5-trimethoxyphenyl)-6,7-dihydro- 5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C152 H152 N8 O48 -","8","1","SK3325","Cuervo, Paola; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Conformational and configurational disorder in 6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one and 6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8-one: a hydrogen-bonded chain of rings and π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2009","65","7","o326","o330","10.1107/S0108270109019556","","","0.71073","MoKα","","0.0677","0.0478","","","0.1135","0.1227","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017200","12.9403","0.0004","7.131","0.0002","14.7736","0.0007","90","","103.758","0.0013","90","","1324.15","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5<i>H</i>-1,3- dioxolo[4,5-<i>g</i>]quinolin-8-one","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","SK3325","Cuervo, Paola; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Conformational and configurational disorder in 6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one and 6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8-one: a hydrogen-bonded chain of rings and π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2009","65","7","o326","o330","10.1107/S0108270109019556","","","0.71073","MoKα","","0.0863","0.0512","","","0.1136","0.1284","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017201","21.842","0.011","10.591","0.004","15.105","0.005","90","","122.317","0.015","90","","2953","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trinitratobis{<i>N</i>'-[1-(2- pyridyl)ethylidene]isonicotinohydrazide}cerium(III)","","- C26 H24 Ce N11 O11 -","- C26 H24 Ce N11 O11 -","- C104 H96 Ce4 N44 O44 -","4","0.5","SK3327","Zhang, Ying-Ying; Liu, Shi-Xiong","Trinitratobis{<i>N</i>'-[1-(2-pyridyl)ethylidene]isonicotinohydrazide}cerium(III): a three-dimensional cerium‒organic supramolecular structure","Acta Crystallographica Section C","2009","65","7","m269","m272","10.1107/S0108270109023385","","","0.71073","MoKα","","0.0268","0.025","","","0.0589","0.0598","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017202","8.0371","0.0007","5.1425","0.0004","23.994","0.002","90","","94.32","0.004","90","","988.87","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","25m","2,5-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.0987","0.0515","","","0.1199","0.1456","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017203","7.6741","0.0005","13.7314","0.0006","10.3316","0.0008","90","","103.861","0.003","90","","1057","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","34m","3,4-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.0954","0.05","","","0.1182","0.1423","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2017204","8.3784","0.0005","12.6278","0.0008","9.9118","0.0005","90","","101.152","0.003","90","","1028.87","0.1","150","2","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","35m","3,5-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.0921","0.0514","","","0.1203","0.1409","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017205","13.9692","0.0005","5.0957","0.0002","15.3151","0.0008","90","","113.812","0.002","90","","997.37","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","24m","2,4-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.1255","0.0557","","","0.1291","0.1696","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017206","8.1321","0.0002","10.025","0.0002","12.6802","0.0003","98.474","0.002","97.472","0.002","105.491","0.002","969.63","0.04","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Poly[hexaaquabis(μ~4~-4-carboxybenzenesulfonato- κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1''^:<i>O</i>^4^)bis(μ~3~-4- carboxybenzenesulfonato- κ^2^<i>O</i>^1^:<i>O</i>^1'^)calcium(II)dipotassium(I)]","","- C28 H32 Ca K2 O26 S4 -","- C28 H32 Ca K2 O26 S4 -","- C28 H32 Ca K2 O26 S4 -","1","0.5","SQ3195","Prochniak, G.; Videnova-Adrabinska, V.","Poly[hexaaquabis(μ~4~-4-carboxybenzenesulfonato)bis(μ~3~-4-carboxybenzenesulfonato)calcium(II)dipotassium(I)]","Acta Crystallographica Section C","2009","65","8","m287","m290","10.1107/S0108270109021337","","","0.71073","MoKα","","0.0556","0.0375","","","0.0899","0.095","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017207","7.399","0.0015","26.328","0.005","13.214","0.003","90","","91.17","0.03","90","","2573.6","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)- 4-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan- 4-ylcarbonyl)-2,6-diphenylperhydropyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione","","- C29 H31 N3 O5 S -","- C29 H31 N3 O5 S -","- C116 H124 N12 O20 S4 -","4","2","SQ3199","Gainsford, Graeme J.; Mee, Simon P. H.; Luxenburger, Andreas","`Segmented' crystals solved using synchrotron radiation: (2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-4-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4-ylcarbonyl)-2,6-diphenylperhydropyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione","Acta Crystallographica Section C","2009","65","7","o331","o334","10.1107/S0108270109020435","","","0.773","synchrotron","","0.046","0.0435","","","0.1092","0.1109","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017208","12.7984","0.0005","14.8116","0.0006","7.2524","0.0003","90","","90","","90","","1374.8","0.1","110","2","110","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-[(<i>E</i>)-4-pyridylmethylene]benzene- 1,4-diamine","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","BM3080","Seidel, Rüdiger W.; Sheldrick, William S.; Kolev, Tsonko M.; Koleva, Bojidarka B.","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-[(<i>E</i>)-4-pyridylmethylene]benzene-1,4-diamine: a combined X-ray and density functional theory study","Acta Crystallographica Section C","2009","65","8","o385","o387","10.1107/S0108270109025475","","","0.71073","MoKα","","0.0451","0.0301","","","0.0561","0.0582","","","","","","0.872","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017209","7.9552","0.0013","11.674","0.0019","14.05","0.002","90","","90","","90","","1304.8","0.4","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[[aquacopper(II)]-μ-3-(2-pyridylmethyleneamino)propanoato- κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>'] perchlorate]","","- C9 H11 Cl Cu N2 O7 -","- C9 H11 Cl Cu N2 O7 -","- C36 H44 Cl4 Cu4 N8 O28 -","4","1","BM3081","Shi, Wen-Juan","The chiral helical structure of a copper(II) complex with a tridentate Schiff base ligand","Acta Crystallographica Section C","2009","65","8","m284","m286","10.1107/S010827010902575X","","","0.71073","MoKα","","0.064","0.054","","","0.1222","0.1289","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017210","13.495","0.003","6.5202","0.0013","14.103","0.003","90","","113.49","0.03","90","","1138.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(iminodiacetato-κ<i>O</i>)silver(I)]-μ~3~-2- aminopyrimidine-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]","","- C8 H13 Ag N4 O5 -","- C8 H13 Ag N4 O5 -","- C32 H52 Ag4 N16 O20 -","4","1","BM3083","Sun, Di; Luo, Geng-Geng; Huang, Rong-Bin; Zhang, Na; Zheng, Lan-Sun","<i>catena</i>-Poly[[[(iminodiacetato-κ<i>O</i>)silver(I)]-μ~3~-2-aminopyrimidine-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]: a one-dimensional silver(I) coordination polymer with mixed ligands","Acta Crystallographica Section C","2009","65","8","m305","m307","10.1107/S010827010902695X","","","0.71073","MoK~α~","","0.0282","0.0254","","","0.0624","0.0644","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017211","7.9755","0.0009","11.2619","0.0015","11.4848","0.0016","77.358","0.011","78.991","0.01","73.488","0.011","955.9","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)propane-1,3-diaminium tris(perchlorate) chloride","","- C7 H24 Cl4 N4 O12 -","- C7 H24 Cl4 N4 O12 -","- C14 H48 Cl8 N8 O24 -","2","1","DN3118","Szcześniak, Hanna B.; Patroniak, Violetta; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)propane-1,3-diaminium tris(perchlorate) chloride","Acta Crystallographica Section C","2009","65","8","o371","o373","10.1107/S010827010902410X","","","0.71073","MoKα","","0.0982","0.0446","","","0.0546","0.0611","","","","","","0.897","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017212","12.9638","0.0005","6.4039","0.0002","7.3594","0.0002","90","","90.561","0.003","90","","610.94","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[diaquacobalt(II)]-μ~4~-<i>p</i>-phenylenediacrylato]","","- C12 H12 Co O6 -","- C12 H12 Co O6 -","- C24 H24 Co2 O12 -","2","0.5","EG3020","Xu, Zhan-Lin; Kong, Zhi-Guo; Sun, Shu-Bo; Wang, Xiu-Yan","A new three-dimensional cobalt(II) coordination polymer with a 4-connected CdSO~4~-like topology","Acta Crystallographica Section C","2009","65","8","m273","m275","10.1107/S010827010902438X","","","0.71073","MoKα","","0.0358","0.0257","","","0.0585","0.0603","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017213","12.8368","0.0011","17.8044","0.0015","19.6735","0.0016","90","","90.2746","0.0012","90","","4496.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[<i>p-tert</i>-butylcalix[4]arene(OMe)(OH)~2~(OLi)]~2~.4MeCN","bis(μ-5,11,17,23-tetra-<i>tert</i>-butyl-26,28-dihydroxy-25-methoxy-27- oxidocalix[4]arene)dilithium(I) acetonitrile tetrasolvate","","- C98 H126 Li2 N4 O8 -","- C98 H126 Li2 N4 O8 -","- C196 H252 Li4 N8 O16 -","2","0.5","EG3021","Lee, Darren S.; Elsegood, Mark R. J.; Redshaw, Carl; Zhan, Shuzhong","Two related lithium calixarene complexes, [<i>p-tert</i>-butylcalix[4]arene(OMe)(OH)~2~(OLi)]~2~·4MeCN and {<i>p-tert</i>-butylcalix[4]arene(OH)~2~(OLi)[OLi(NCMe)~2~]}~2~·8MeCN, determined using synchrotron radiation","Acta Crystallographica Section C","2009","65","8","m291","m295","10.1107/S0108270109025311","","","0.6911","synchrotron","","0.104","0.0738","","","0.2014","0.2258","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017214","12.819","0.0012","13.5649","0.0013","18.223","0.003","106.035","0.002","94.097","0.002","115.286","0.002","2687.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","{<i>p-tert</i>-butylcalix[4]arene(OH)~2~(OLi)[OLi(NCMe)~2~]}~2~.8MeCN","Tetraacetonitrilebis(μ-5,11,17,23-tetra-<i>tert</i>-butyl-26,28-dihydroxy- 25,27-dioxidocalix[4]arene)tetralithium(I) acetonitrile octasolvate","","- C112 H144 Li4 N12 O8 -","- C112 H144 Li4 N12 O8 -","- C112 H144 Li4 N12 O8 -","1","0.5","EG3021","Lee, Darren S.; Elsegood, Mark R. J.; Redshaw, Carl; Zhan, Shuzhong","Two related lithium calixarene complexes, [<i>p-tert</i>-butylcalix[4]arene(OMe)(OH)~2~(OLi)]~2~·4MeCN and {<i>p-tert</i>-butylcalix[4]arene(OH)~2~(OLi)[OLi(NCMe)~2~]}~2~·8MeCN, determined using synchrotron radiation","Acta Crystallographica Section C","2009","65","8","m291","m295","10.1107/S0108270109025311","","","0.8466","synchrotron","","0.1211","0.0647","","","0.1431","0.1717","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017215","13.766","0.004","7.721","0.002","19.031","0.005","90","","104.63","0.004","90","","1957.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)[hydrotris(3,5-dimethylpyrazol-1-yl- κ<i>N</i>^2^)borato]zinc(II)","","- C17 H25 B N6 O2 Zn -","- C17 H25 B N6 O2 Zn -","- C68 H100 B4 N24 O8 Zn4 -","4","1","EG3023","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza","(Acetato-κ<i>O</i>)[tris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]zinc(II)","Acta Crystallographica Section C","2009","65","8","m314","m316","10.1107/S0108270109027516","","","0.71073","MoKα","","0.0379","0.033","","","0.0785","0.0809","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017216","6.986","0.004","15.553","0.009","20.06","0.012","90","","90","","90","","2180","2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)","","- C25 H22 Au P S -","- C25 H22 Au P S -","- C100 H88 Au4 P4 S4 -","4","1","FA3184","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, Jr, John P.","A monomeric gold(I) carbanion complex with an uncoordinated thioether: [2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)","Acta Crystallographica Section C","2009","65","8","m299","m301","10.1107/S0108270109017831","","","0.71073","MoKα","","0.0461","0.0419","","","0.0954","0.0985","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017217","12.693","0.004","5.509","0.003","11.576","0.004","90","","115.8","0.03","90","","728.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diaminomethylene)thiouron-1-ium formate","","- C3 H8 N4 O2 S -","- C3 H8 N4 O2 S -","- C12 H32 N16 O8 S4 -","4","1","FA3194","Hołyńska, Małgorzata; Kubiak, Maria","Supramolecular motifs in the first structures of organic carboxylate salts of 1-(diaminomethylene)thiourea (HATU)","Acta Crystallographica Section C","2009","65","8","o410","o413","10.1107/S0108270109026390","","","0.71073","MoKα","","0.078","0.0453","","","0.0969","0.1076","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017218","7.006","0.003","7.221","0.003","7.837","0.003","111.89","0.03","90.82","0.03","91.02","0.03","367.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[1-(diaminomethylene)thiouron-1-ium] oxalate dihydrate","","- C6 H18 N8 O6 S2 -","- C6 H18 N8 O6 S2 -","- C6 H18 N8 O6 S2 -","1","0.5","FA3194","Hołyńska, Małgorzata; Kubiak, Maria","Supramolecular motifs in the first structures of organic carboxylate salts of 1-(diaminomethylene)thiourea (HATU)","Acta Crystallographica Section C","2009","65","8","o410","o413","10.1107/S0108270109026390","","","0.71073","MoKα","","0.0327","0.0268","","","0.075","0.0774","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017219","8.893","0.001","11.1321","0.0012","10.2078","0.0009","90","","109.749","0.007","90","","951.11","0.18","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Benzyl-3-<i>tert</i>-butyl-1-phenyl-6,7-dihydro-1<i>H</i>,4<i>H</i>-\ pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0718","0.0434","","","0.0891","0.1027","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017220","8.95","0.0007","11.2146","0.001","10.0768","0.0009","90","","107.572","0.005","90","","964.22","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>tert</i>-butyl-7-(4-methylbenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H27 N3 O -","- C23 H27 N3 O -","- C46 H54 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.12","0.0522","","","0.1165","0.1492","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017221","9.1888","0.0002","11.4499","0.0003","9.721","0.0002","90","","101.857","0.001","90","","1000.93","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C46 H54 N6 O4 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0431","0.0384","","","0.0818","0.0845","","","","","","1.185","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017222","9.0277","0.0011","9.8597","0.0012","12.6835","0.0018","85.531","0.011","74.18","0.011","67.162","0.009","1000.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-phenyl-7-[4-(trifluoromethyl)benzyl]-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H24 F3 N3 O -","- C23 H24 F3 N3 O -","- C46 H48 F6 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.156","0.0609","","","0.1378","0.1829","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017223","19.164","0.002","8.7781","0.0007","11.7188","0.0012","90","","101.717","0.01","90","","1930.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(4-nitrobenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C22 H24 N4 O3 -","- C22 H24 N4 O3 -","- C88 H96 N16 O12 -","4","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.1012","0.0498","","","0.0964","0.1156","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017224","8.8268","0.001","11.6521","0.001","10.3831","0.0007","90","","93.747","0.009","90","","1065.63","0.17","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>tert</i>-butyl-7-(2,3-dimethoxybenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C24 H29 N3 O3 -","- C24 H29 N3 O3 -","- C48 H58 N6 O6 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0619","0.0443","","","0.1001","0.1115","","","","","","1.126","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017225","9.1164","0.0014","11.3303","0.0018","19.694","0.002","90","","99.775","0.013","90","","2004.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(3,4-methylenedioxybenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C92 H100 N12 O12 -","4","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.1359","0.0693","","","0.1366","0.1652","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017226","9.8189","0.001","10.0499","0.0008","12.813","0.0014","68.71","0.009","72.537","0.008","70.982","0.008","1089.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-phenyl-7-(3,4,5-trimethoxybenzyl)-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C25 H31 N3 O4 -","- C25 H31 N3 O4 -","- C50 H62 N6 O8 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.072","0.0468","","","0.1068","0.12","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017227","19.559","0.003","5.2321","0.0008","19.871","0.003","90","","90","","90","","2033.5","0.5","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1-<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C15 H10 N2 -","- C15 H10 N2 -","- C120 H80 N16 -","8","2","FG3095","Stibrany, Robert T.; Potenza, Joseph A.","Structures of 1-hydrophenanthroimidazoles: building blocks in the synthesis of expanded-ring bis(imidazoles)","Acta Crystallographica Section C","2009","65","8","o406","o409","10.1107/S0108270109025165","","","0.71073","MoKα","","0.0515","0.0433","","","0.1075","0.1123","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017228","8.415","0.002","10.139","0.002","17.227","0.004","101.683","0.004","101.398","0.005","104.109","0.005","1347.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3,6-dibromo-1-<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole hemihydrate","","- C15 H9 Br2 N2 O0.5 -","- C15 H9 Br2 N2 O0.5 -","- C60 H36 Br8 N8 O2 -","4","2","FG3095","Stibrany, Robert T.; Potenza, Joseph A.","Structures of 1-hydrophenanthroimidazoles: building blocks in the synthesis of expanded-ring bis(imidazoles)","Acta Crystallographica Section C","2009","65","8","o406","o409","10.1107/S0108270109025165","","","0.71073","MoKα","","0.0759","0.0472","","","0.1183","0.1278","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017229","15.83","0.001","8.1176","0.0005","13.8319","0.0009","90","","122.013","0.001","90","","1507.13","0.17","173","2","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Diaquatetrakis(<i>tert</i>-butyl isocyanide)cobalt(II) bis(perchlorate)","","- C20 H40 Cl2 Co N4 O10 -","- C20 H40 Cl2 Co N4 O10 -","- C40 H80 Cl4 Co2 N8 O20 -","2","0.25","FG3104","Becker, Clifford A. L.; Forbes, Roy P.; Black, Robert S.","Diaquatetrakis(<i>tert</i>-butyl isocyanide)cobalt(II) bis(perchlorate): an example of cobalt(II) coordinated by only four alkyl isocyanide ligands","Acta Crystallographica Section C","2009","65","8","m302","m304","10.1107/S0108270109024500","","","0.71073","MoKα","","","0.0394","","","","0.1059","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017230","12.498","0.003","20.899","0.004","10.43","0.002","90","","90","","90","","2724.3","1","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine- 3-carboxamide-κ<i>N</i>^1^)copper(II)","","- C10 H14 Cu N2 O8 -","- C10 H14 Cu N2 O8 -","- C80 H112 Cu8 N16 O64 -","8","1","FG3105","Perec, Mireille; Baggio, Ricardo","Diaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2009","65","8","m296","m298","10.1107/S0108270109025293","","","0.71073","MoKα","","0.0493","0.0407","","","0.1103","0.1185","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017231","15.5708","0.0013","6.5334","0.0005","29.437","0.002","90","","110.333","0.005","90","","2808","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(picolinato- κ^2^<i>N</i>,<i>O</i>)copper(II) 0.87-hydrate","","- C11 H13 Cu N3 O5.87 -","- C11 H13 Cu N3 O5.8655 -","- C88 H104 Cu8 N24 O46.924 -","8","2","FG3110","Chamayou, Anne-Christine; Biswas, Chaitali; Ghosh, Ashutosh; Janiak, Christoph","(Acetato-κ<i>O</i>)aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(picolinato-κ^2^<i>N</i>,<i>O</i>)copper(II) 0.87-hydrate: a <i>Z</i>' <b>></b> 1 structure","Acta Crystallographica Section C","2009","65","8","m311","m313","10.1107/S0108270109028005","","","0.71073","MoKα","","0.0536","0.0345","","","0.0872","0.0962","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017232","12.5225","0.0001","12.5225","0.0001","6.6809","0.0001","90","","90","","120","","907.293","0.017","150","2","150","2","","","","","","","","4","P 31","P 31","144","Triclosan","5-chloro-2-(2,4-dichlorophenoxy)phenol","","- C12 H7 Cl3 O2 -","- C12 H7 Cl3 O2 -","- C36 H21 Cl9 O6 -","3","1","FG3111","Ramos, Ana I.; Braga, Susana S.; Almeida Paz, Filipe A.","Triclosan","Acta Crystallographica Section C","2009","65","8","o404","o405","10.1107/S0108270109026511","","","0.71073","MoKα","","0.0623","0.0374","","","0.0637","0.0698","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017233","6.9113","0.0002","33.447","0.0009","8.0716","0.0002","90","","99.778","0.003","90","","1838.74","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","codeine hydrogen dihydrogen phosphate hemihydrate","(5α,6α)-6-hydroxy-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinanium dihydrogen phosphate hemihydrate","","- C18 H25 N O7.5 P -","- C18 H25 N O7.5 P -","- C72 H100 N4 O30 P4 -","4","2","FG3114","Langes, Christoph; Gelbrich, Thomas; Griesser, Ulrich J.; Kahlenberg, Volker","Codeine dihydrogen phosphate hemihydrate","Acta Crystallographica Section C","2009","65","8","o419","o422","10.1107/S0108270109027164","","","0.71073","MoKα","","0.0496","0.0455","","","0.113","0.1148","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017234","15.3053","0.0007","15.3053","0.0007","43.672","0.003","90","","90","","120","","8859.7","0.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Sodium manganese phosphate","Sodium manganese phosphate","","- Mn45.31 Na14.11 O144 P36 -","- Mn45.314 Na14.1 O144 P36 -","- Mn135.942 Na42.3 O432 P108 -","3","0.166667","FN3021","Hatert, Frédéric; Keller, Paul; Lissner, Falk; Schleid, Thomas","Na~10~(Na,Mn)~7~Mn~43~(PO~4~)~36~: a new synthetic fillowite-type phosphate","Acta Crystallographica Section C","2009","65","8","i52","i53","10.1107/S0108270109027188","","","0.71073","MoKα","","0.0802","0.0384","","","0.0729","0.0811","","","","","","0.857","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017235","8.7778","0.0018","10.26","0.002","12.882","0.003","69.08","0.03","87.1","0.03","74.26","0.03","1041.7","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","acetato[<i>N</i>,<i>N</i>'-bis(2-aminoethyl)ethane-1,2-diamine]zinc(II) 4,4',6,6'-tetrahydroxy-2,2'-spirobi[cyclotriboroxane](1-)","","- C8 H25 B5 N4 O12 Zn -","- C8 H25 B5 N4 O11.99 Zn -","- C16 H50 B10 N8 O23.98 Zn2 -","2","1","FN3025","Wu, Shu-Li; Liu, Huan-Xin; Jiang, Xiao; Shao, Zhi-Dong; Liang, Yun-Xiao","A novel metallo-organically templated pentaborate: acetato[<i>N</i>,<i>N</i>'-bis(2-aminoethyl)ethane-1,2-diamine]zinc(II) 4,4',6,6'-tetrahydroxy-2,2'-spirobi[cyclotriboroxane](1{-})","Acta Crystallographica Section C","2009","65","8","m308","m310","10.1107/S0108270109024445","","","0.71073","MoKα","","0.0398","0.0309","","","0.0752","0.0801","","","","","","1.042","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017236","10.5348","0.0002","11.6175","0.0003","13.5918","0.0004","88.768","0.002","79.582","0.002","76.594","0.002","1591.11","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'- dimethanol-1κ<i>O</i>,2κ<i>O</i>-bis{μ-2-[(2<i>E</i>,3<i>Z</i>)-4-oxidopent- 3-en-2-ylideneamino]phenolato}-1:2κ^4^<i>O</i>^2^,<i>N</i>, <i>O</i>^4^:<i>O</i>^4^;2:3κ^4^<i>O</i>^4^:<i>O</i>^2^,<i>N</i>, <i>O</i>^4^-trizinc(II)","","- C28 H36 N2 O10 Zn3 -","- C28 H36 N2 O10 Zn3 -","- C56 H72 N4 O20 Zn6 -","2","1","FN3029","Munro, Orde Q.; Gillham, Kate; Akerman, Matthew P.","A novel trinuclear zinc(II) cluster with a tetrahedral ZnO~4~ core","Acta Crystallographica Section C","2009","65","8","m317","m320","10.1107/S0108270109027735","","","0.71073","MoKα","","0.0642","0.0361","","","0.0841","0.0963","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017237","14.902","0.004","8.969","0.002","18.434","0.005","90","","112.397","0.009","90","","2278","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]- μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","","- C23 H28 Co N2 O4 -","- C23 H28 Co N2 O4 -","- C92 H112 Co4 N8 O16 -","4","0.5","GA3125","Lennartson, Anders; Håkansson, Mikael","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']: a one-dimensional coordination polymer capable of forming clathrates with prochiral aldehydes","Acta Crystallographica Section C","2009","65","8","m325","m327","10.1107/S0108270109027589","","","0.71073","MoKα","","0.0425","0.0371","","","0.1129","0.1177","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017238","8.8759","0.0018","10.72","0.002","14.137","0.003","73.07","0.03","86.87","0.03","65.61","0.03","1168.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[3,5-DBr-2,6-DAPyH]2.CdBr4","bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidocadmate(II)","","- C10 H12 Br8 Cd N6 -","- C10 H12 Br8 Cd N6 -","- C20 H24 Br16 Cd2 N12 -","2","1","GA3128","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three-dimensional framework structures: isomorphous bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidometallate(II) salts with Cd^II^ and Mn^II^","Acta Crystallographica Section C","2009","65","8","m321","m324","10.1107/S0108270109028571","","","0.71073","MoKα","","0.0496","0.0343","","","0.0761","0.0817","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017239","8.8776","0.0019","10.705","0.002","13.962","0.003","72.757","0.004","86.692","0.004","66.159","0.004","1156.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[3,5-DBr-2,6-DAPyH]2.MnBr4","bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidomanganate(II)","","- C10 H12 Br8 Mn N6 -","- C10 H12 Br8 Mn N6 -","- C20 H24 Br16 Mn2 N12 -","2","1","GA3128","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three-dimensional framework structures: isomorphous bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidometallate(II) salts with Cd^II^ and Mn^II^","Acta Crystallographica Section C","2009","65","8","m321","m324","10.1107/S0108270109028571","","","0.71073","MoKα","","0.0533","0.0357","","","0.0823","0.0891","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017240","5.0961","0.0007","25.084","0.0019","8.0217","0.0006","90","","104.637","0.008","90","","992.14","0.18","291","0.3","291","0.3","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine","","- C10 H11 Cl O3 -","- C10 H11 Cl O3 -","- C40 H44 Cl4 O12 -","4","1","GD3288","Kruszynski, Rafal","Weak intermolecular interactions in isomorphous 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding interactions","Acta Crystallographica Section C","2009","65","8","o396","o399","10.1107/S0108270109020551","","","0.71073","MoKα","","0.0401","0.0353","","","0.0775","0.08","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017241","5.0911","0.0008","25.4143","0.0018","8.0469","0.0005","90","","104.69","0.009","90","","1007.13","0.19","291","0.3","291","0.3","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine","","- C10 H11 Br O3 -","- C10 H11 Br O3 -","- C40 H44 Br4 O12 -","4","1","GD3288","Kruszynski, Rafal","Weak intermolecular interactions in isomorphous 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding interactions","Acta Crystallographica Section C","2009","65","8","o396","o399","10.1107/S0108270109020551","","","0.71073","MoKα","","0.0183","0.0178","","","0.0473","0.0475","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017242","11.4093","0.0011","11.3589","0.0011","24.176","0.002","90","","101.861","0.002","90","","3066.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-Diselenodibenzyl bromide","bis[2-(bromomethyl)phenyl] diselenide","","- C14 H12 Br2 Se2 -","- C14 H12 Br2 Se2 -","- C112 H96 Br16 Se16 -","8","1","GD3293","Lari, Alberth; Rominger, Frank; Gleiter, Rolf","Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide","Acta Crystallographica Section C","2009","65","8","o400","o403","10.1107/S0108270109025682","","","0.71073","MoKα","","0.0709","0.0393","","","0.0725","0.0817","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017243","7.916","0.0002","8.0215","0.0001","23.4689","0.0004","98.388","0.001","95.287","0.001","90.61","0.001","1467.58","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2,2'-Diselenodibenzyl chloride","bis[2-(chloromethyl)phenyl] diselenide","","- C14 H12 Cl2 Se2 -","- C14 H12 Cl2 Se2 -","- C56 H48 Cl8 Se8 -","4","2","GD3293","Lari, Alberth; Rominger, Frank; Gleiter, Rolf","Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide","Acta Crystallographica Section C","2009","65","8","o400","o403","10.1107/S0108270109025682","","","0.71073","MoKα","","0.0936","0.0501","","","0.0854","0.0998","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017244","8.4461","0.0002","8.9003","0.0003","9.7427","0.0003","72.904","0.001","78.95","0.001","76.978","0.001","675.81","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2,2'-(diselenodi-<i>o</i>phenylene)dimethanol","2,2'-(diselenodi-<i>o</i>phenylene)dimethanol","","- C14 H14 O2 Se2 -","- C14 H14 O2 Se2 -","- C28 H28 O4 Se4 -","2","1","GD3293","Lari, Alberth; Rominger, Frank; Gleiter, Rolf","Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide","Acta Crystallographica Section C","2009","65","8","o400","o403","10.1107/S0108270109025682","","","0.71073","MoKα","","0.0316","0.0259","","","0.069","0.071","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017245","10.521","0.002","19.769","0.004","9.056","0.002","90","","111.49","0.03","90","","1752.6","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1042","0.0426","","","0.0778","0.0899","","","","","","0.878","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017246","9.111","0.002","18.83","0.004","23.754","0.005","90","","90","","90","","4075.2","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole acetonitrile solvate","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C184 H144 N32 O16 -","8","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1536","0.0469","","","0.086","0.1058","","","","","","0.814","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017247","11.728","0.002","11.365","0.002","29.241","0.006","90","","94.62","0.02","90","","3884.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole methanol solvate","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C176 H152 N24 O24 -","8","2","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.2084","0.0673","","","0.1269","0.1564","","","","","","0.876","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017248","5.813","0.001","15.003","0.003","23.243","0.005","90","","95.48","0.003","90","","2017.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole methanol solvate","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1466","0.0587","","","0.1245","0.1503","","","","","","0.911","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017249","16.242","0.003","9.583","0.002","11.615","0.002","90","","94.36","0.02","90","","1802.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-2-(3-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1032","0.0564","","","0.1385","0.1538","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017250","11.855","0.002","12.384","0.002","14.791","0.003","111.95","0.03","99.56","0.03","109.63","0.03","1788.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-methyl-2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","2","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.0812","0.0437","","","0.1165","0.1303","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017251","11.9829","0.0006","12.4737","0.0006","14.4368","0.0007","77.378","0.001","70.132","0.001","86.305","0.001","1980.28","0.17","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","<i>catena</i>-poly[dipotassium(I) [bis(2,2'-bipyridine)di-μ~3~-trifluoroacetato-dodeca-μ~2~-trifluoroacetato-\ diplatinum(II)octasilver(I)]]","","- C48 H16 Ag8 F42 K2 N4 O28 Pt2 -","- C48 H16 Ag8 F42.006 K2 N4 O28 Pt2 -","- C48 H16 Ag8 F42.006 K2 N4 O28 Pt2 -","1","0.5","GZ3165","Hudson, Zachary M.; Sun, Yi; Ross, Bryan; Wang, Rui-Yao; Wang, Suning","The anionic coordination polymer {K~2~[Pt^II^~2~Ag^I^~8~(2,2'-bipyridine)~2~(O~2~CCF~3~)~14~]}~<i>n~</i>","Acta Crystallographica Section C","2009","65","8","m328","m330","10.1107/S010827010902839X","","","0.71073","MoKα","","0.027","0.0242","","","0.0565","0.0578","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017252","4.9343","0.001","6.8918","0.0014","11.342","0.002","81.943","0.003","85.847","0.003","86.529","0.003","380.39","0.13","283","0.1","283","0.1","","","","","","","","4","P 1","P 1","1","Ia","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0444","0.0337","","","0.0789","0.0854","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017253","4.8848","0.0012","6.8723","0.0016","11.259","0.003","82.261","0.003","84.711","0.003","85.64","0.003","372.15","0.16","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","Ib","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0486","0.0409","","","0.1143","0.1215","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017254","4.8641","0.0012","5.738","0.0014","13.325","0.003","82.814","0.003","87.274","0.003","86.435","0.004","367.97","0.15","173","0.1","173","2","","","","","","","","4","P 1","P 1","1","II","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0739","0.0537","","","0.126","0.138","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017255","4.9215","0.0018","6.871","0.003","11.314","0.004","81.973","0.005","85.839","0.005","86.562","0.005","377.4","0.3","283","0.1","283","0.1","","","","","","","","4","P 1","P 1","1","Ic","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0797","0.0489","","","0.1141","0.1291","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017256","5.6645","0.0002","9.4282","0.0006","10.7437","0.0005","91.907","0.004","95.553","0.003","102.426","0.004","556.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-cyclohexane-1,4-carboxylato- κ^2^<i>O</i>^1^:<i>O</i>^4^)manganese(II)]","","- C22 H28 Mn N4 O6 -","- C22 H28 Mn N4 O6 -","- C22 H28 Mn N4 O6 -","1","0.5","SK3329","Wang, Qing-Wei; Wang, Xiu-Yan; Wang, Ming; Li, Bing-Yang; Ma, Xiao-Yuan","Poly[diaqua[μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-<i>trans</i>-cyclohexane-1,4-carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)manganese(II)]: a three-dimensional hydrogen-bonding α-polonium net","Acta Crystallographica Section C","2009","65","8","m276","m278","10.1107/S0108270109022331","","","0.71073","MoKα","","0.0413","0.0313","","","0.073","0.0756","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017257","8.593","0.002","9.761","0.002","10.054","0.003","93.32","0.02","114.45","0.03","113.75","0.03","676.6","0.4","299","2","299","2","","","","","","","","4","P 1","P 1","1","","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C32 H30 N2 O4 -","2","2","SK3330","Bakowicz, Julia; Turowska-Tyrk, Ilona","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal","Acta Crystallographica Section C","2009","65","8","o377","o380","10.1107/S0108270109025451","","","0.71073","MoKα","","0.0735","0.0609","","","0.1567","0.1702","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017258","8.981","0.003","24.056","0.008","10.895","0.003","90","","90","","90","","2353.8","1.3","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","SK3330","Bakowicz, Julia; Turowska-Tyrk, Ilona","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal","Acta Crystallographica Section C","2009","65","8","o377","o380","10.1107/S0108270109025451","","","0.71073","MoKα","","0.123","0.0629","","","0.1285","0.1584","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017259","14.361","0.0016","8.0094","0.0007","13.0715","0.0014","90","","111.301","0.002","90","","1400.8","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-chloroanilinium hydrogen phthalate","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C56 H48 Cl4 N4 O16 -","4","1","SK3331","Jagan, R.; Sivakumar, K.","N—H···O and O—H···O hydrogen-bonded supramolecular networks in 4-chloroanilinium, 2-hydroxyanilinium and 3-hydroxyanilinium hydrogen phthalates","Acta Crystallographica Section C","2009","65","8","o414","o418","10.1107/S0108270109025724","","","0.71073","MoKα","","0.0584","0.0423","","","0.121","0.1333","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017260","12.7082","0.0004","14.4422","0.0005","14.3394","0.0004","90","","105.287","0.002","90","","2538.65","0.14","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-hydroxyanilinium hydrogen phthalate","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C112 H104 N8 O40 -","8","2","SK3331","Jagan, R.; Sivakumar, K.","N—H···O and O—H···O hydrogen-bonded supramolecular networks in 4-chloroanilinium, 2-hydroxyanilinium and 3-hydroxyanilinium hydrogen phthalates","Acta Crystallographica Section C","2009","65","8","o414","o418","10.1107/S0108270109025724","","","0.71073","MoKα","","0.0795","0.0449","","","0.112","0.1318","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017261","5.8924","0.0003","8.1467","0.0004","25.6509","0.0015","90","","95.984","0.002","90","","1224.63","0.11","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxyanilinium hydrogen phthalate","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","SK3331","Jagan, R.; Sivakumar, K.","N—H···O and O—H···O hydrogen-bonded supramolecular networks in 4-chloroanilinium, 2-hydroxyanilinium and 3-hydroxyanilinium hydrogen phthalates","Acta Crystallographica Section C","2009","65","8","o414","o418","10.1107/S0108270109025724","","","0.71073","MoKα","","0.0576","0.0434","","","0.1074","0.1169","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017262","8.4158","0.0017","14.779","0.003","10.438","0.002","90","","110.58","0.03","90","","1215.4","0.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'- (<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","1","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.1301","0.08","","","0.1179","0.1338","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017263","9.7566","0.0005","12.7626","0.0006","9.3138","0.0004","90","","90","","90","","1159.75","0.09","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3,3'-[1,4-phenylene-bis-(methylene)]-bis-[6-(chloromethyl)- 1,4-dimethyl-2,5-piperazinedione]","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","0.5","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.0507","0.0365","","","0.0938","0.1017","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017264","9.2208","0.0013","12.6517","0.0019","9.6894","0.0015","90","","92.123","0.002","90","","1129.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3'-[1,4-phenylene-bis-(methylene)]-bis-[6-(chloromethyl)- 1,4-dimethyl-2,5-piperazinedione]","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","1","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.0424","0.0349","","","0.0808","0.0847","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017265","6.257","0.0005","6.257","0.0005","13.4","0.002","90","","90","","90","","524.61","0.1","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","vanadophosphate dihydrate","poly[diaqua-μ-oxido-μ-phosphato-hemiocobalt(II)vanadium(II)]","","- Co0.5 H4 O7 P V -","- Co0.5 H4 O7 P V -","- Co2 H16 O28 P4 V4 -","4","0.25","SQ3194","Meng, Lianxia; Ma, Yuping; Zhang, Xiaoliang; Xu, Yan","Co~0.50~VOPO~4~·2H~2~O","Acta Crystallographica Section C","2009","65","8","i45","i47","10.1107/S010827010902397X","","","0.71073","MoKα","","0.0172","0.0172","","","0.0399","0.0399","","","","","","1.202","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017267","5.7924","0.0004","6.1663","0.0004","8.0748","0.0005","90","","92.21","0.005","90","","288.2","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","distrontium hexahydroxidocuprate(II)","distrontium hexahydroxidocuprate(II)","","- Cu H6 O6 Sr2 -","- Cu H6 O6 Sr2 -","- Cu2 H12 O12 Sr4 -","2","0.5","SQ3197","Šutović, Sabina; Karanović, Ljiljana; Poleti, Dejan","Reinvestigation of Sr~2~[Cu(OH)~6~]","Acta Crystallographica Section C","2009","65","8","i48","i51","10.1107/S0108270109021519","","","0.71069","MoKα","","0.0296","0.0236","","","0.0464","0.0472","","","","","","0.944","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017268","5.9697","0.0005","6.841","0.0005","9.9092","0.0008","86.184","0.002","87.3","0.002","84.293","0.002","401.45","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>trans</i>-tetraamminedibromidochromium(III) <i>trans</i>-diamminetetrabromidochromate(III)","","- Br6 Cr2 H18 N6 -","- Br6 Cr2 H18 N6 -","- Br6 Cr2 H18 N6 -","1","0.5","SQ3202","Stork, Ludwig; Liu, Xiaohui; Fokwa, Boniface P. T.; Dronskowski, Richard","[CrBr~2~(NH~3~)~4~][CrBr~4~(NH~3~)~2~], a new chromium(III) complex","Acta Crystallographica Section C","2009","65","8","i54","i56","10.1107/S0108270109027218","","","0.71073","MoKα","","0.0301","0.0254","","","0.0593","0.0605","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017269","24.155","0.003","10.583","0.0007","18.712","0.003","90","","105.743","0.01","90","","4604","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(2-Fluorophenyl)-6-(1<i>H</i>-indol-1-yl)-3-methyl-1-phenyl-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","","- C28 H18 F N5 -","- C28 H18 F N5 -","- C224 H144 F8 N40 -","8","1","SU3034","Quiroga, Jairo; Sánchez, Ana; Cobo, Justo; Glidewell, Christopher","4-(2-Fluorophenyl)-6-(1<i>H</i>-indol-1-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile: a chain of rings built from N—H···N, C—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2009","65","8","o374","o376","10.1107/S0108270109025566","","","0.71073","MoKα","","0.113","0.0687","","","0.1803","0.2109","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017270","13.2423","0.0002","35.3359","0.0007","8.7298","0.0001","90","","90","","90","","4084.92","0.11","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II)","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C128 H192 Cl32 Cu8 N16 -","8","0.5","SU3035","Bond, Marcus R.","Bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II) and bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II): an examination of the <i>A</i>~2~Cu<i>X</i>~4~ <i>Fdd</i>2 structure type","Acta Crystallographica Section C","2009","65","8","m279","m283","10.1107/S0108270109023968","","","0.71073","MoKα","","0.0517","0.0342","","","0.0793","0.0869","","","","","","1.032","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2017271","17.8882","0.0004","14.8736","0.0003","8.3772","0.0001","90","","96.854","0.001","90","","2212.93","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II)","","- C16 H24 Br4 Cu N2 -","- C16 H24 Br4 Cu N2 -","- C64 H96 Br16 Cu4 N8 -","4","1","SU3035","Bond, Marcus R.","Bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II) and bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II): an examination of the <i>A</i>~2~Cu<i>X</i>~4~ <i>Fdd</i>2 structure type","Acta Crystallographica Section C","2009","65","8","m279","m283","10.1107/S0108270109023968","","","0.71073","MoKα","","0.07","0.0385","","","0.0811","0.0897","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017272","9.158","0.002","12.178","0.003","11.103","0.002","90","","105.207","0.018","90","","1194.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-3-methyl-6-[methyl(phenyl)amino]-5-nitropyrimidin-4(3<i>H</i>)-one","","- C12 H13 N5 O3 -","- C12 H13 N5 O3 -","- C48 H52 N20 O12 -","4","1","DN3119","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","2-Amino-3-methyl-6-[methyl(phenyl)amino]-5-nitropyrimidin-4(3<i>H</i>)-one: polarized molecules within hydrogen-bonded sheets","Acta Crystallographica Section C","2009","65","9","o441","o443","10.1107/S010827010902887X","","","0.71073","MoKα","","0.0915","0.0503","","","0.1268","0.1538","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017273","8.7606","0.0007","11.8494","0.001","17.0002","0.0012","90","","90","","90","","1764.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4- methoxyphenyl)ethylamino]acetonitrile","","- C20 H18 Cl N3 O -","- C20 H18 Cl N3 O -","- C80 H72 Cl4 N12 O4 -","4","1","DN3121","Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","The diastereoisomers 2-[(<i>S</i>/<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4-methoxyphenyl)ethylamino]acetonitrile at 100K","Acta Crystallographica Section C","2009","65","9","o475","o478","10.1107/S010827010903193X","","","0.71073","MoKα","","","0.0315","","","","0.0786","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017274","11.2728","0.0007","5.7612","0.0004","13.3573","0.0009","90","","90.171","0.004","90","","867.48","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(<i>S</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4- methoxyphenyl)ethylamino]acetonitrile","","- C20 H18 Cl N3 O -","- C20 H18 Cl N3 O -","- C40 H36 Cl2 N6 O2 -","2","1","DN3121","Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","The diastereoisomers 2-[(<i>S</i>/<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4-methoxyphenyl)ethylamino]acetonitrile at 100K","Acta Crystallographica Section C","2009","65","9","o475","o478","10.1107/S010827010903193X","","","0.71073","MoKα","","","0.0362","","","","0.0867","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017275","19.136","0.003","8.6409","0.0012","13.5549","0.0018","90","","109.172","0.002","90","","2117","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lamotrigine","6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine","","- C9 H7 Cl2 N5 -","- C9 H7 Cl2 N5 -","- C72 H56 Cl16 N40 -","8","1","DN3123","Sridhar, Balasubramanian; Ravikumar, Krishnan","Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts","Acta Crystallographica Section C","2009","65","9","o460","o464","10.1107/S0108270109030960","","","0.71073","MoKα","","0.0292","0.0281","","","0.0807","0.0818","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017276","16.664","0.005","5.5139","0.0017","13.392","0.004","90","","102.588","0.005","90","","1200.9","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lamotriginium chloride","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium chloride","","- C9 H8 Cl3 N5 -","- C9 H8 Cl3 N5 -","- C36 H32 Cl12 N20 -","4","1","DN3123","Sridhar, Balasubramanian; Ravikumar, Krishnan","Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts","Acta Crystallographica Section C","2009","65","9","o460","o464","10.1107/S0108270109030960","","","0.71073","MoKα","","0.064","0.0466","","","0.1118","0.1235","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017277","7.1356","0.0009","13.3711","0.0017","14.0294","0.0018","88.285","0.002","85.502","0.002","75.516","0.002","1291.9","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium nitrate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium nitrate","","- C9 H8 Cl2 N6 O3 -","- C9 H8 Cl2 N6 O3 -","- C36 H32 Cl8 N24 O12 -","4","2","DN3123","Sridhar, Balasubramanian; Ravikumar, Krishnan","Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts","Acta Crystallographica Section C","2009","65","9","o460","o464","10.1107/S0108270109030960","","","0.71073","MoKα","","0.08","0.0674","","","0.1757","0.1841","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017278","9.2907","0.0011","10.872","0.0009","13.4523","0.0013","90","","95.964","0.008","90","","1351.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-7-chloro-2-<i>exo</i>-(2-chloro-6-fluorophenyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H12 Cl2 F N O -","- C16 H12 Cl2 F N O -","- C64 H48 Cl8 F4 N4 O4 -","4","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.1235","0.0485","","","0.094","0.1207","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017279","9.0768","0.0013","10.9461","0.0009","12.9971","0.0018","90","","99.768","0.009","90","","1272.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-2-<i>exo</i>-(2-Chloro-6-fluorophenyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H13 Cl F N O -","- C16 H13 Cl F N O -","- C64 H52 Cl4 F4 N4 O4 -","4","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.0767","0.047","","","0.1168","0.1368","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017280","9.7687","0.0009","10.3022","0.0017","14.239","0.002","90","","108.222","0.01","90","","1361.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-7-methyl-2-<i>exo</i>-(4-methylphenyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.1346","0.0626","","","0.1082","0.1353","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017281","8.8558","0.0019","7.3585","0.0013","9.9622","0.0018","90","","101.622","0.017","90","","635.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-<i>exo</i>-(2-Chlorophenyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C32 H28 Cl2 N2 O2 -","2","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.0573","0.0383","","","0.0716","0.0782","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017282","8.715","0.0009","10.406","0.002","15.312","0.004","99.547","0.019","90.621","0.014","96.514","0.013","1359.9","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","2","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.164","0.1126","","","0.2829","0.3083","","","","","","1.152","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017283","13.0407","0.0016","8.0578","0.0015","13.383","0.002","90","","115.726","0.016","90","","1266.9","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[{μ~3~-2,2'-[(2-methyl-2-nitropropane-1,3- diyl)diimino]diacetato}copper(II)‒methanol‒water (1/0.45/0.55)","","- C8.45 H15.9 Cu N3 O7 -","- C8.45 H14 Cu N3 O7 -","- C33.8 H56 Cu4 N12 O28 -","4","1","FG3106","Munro, Orde Q.; Akerman, Matthew P.; Gillham, Kate","A bis(amine‒carboxylate) copper(II) coordination compound forms a two-dimensional metal‒organic framework when crystallized from water and methanol","Acta Crystallographica Section C","2009","65","9","m343","m346","10.1107/S010827010903128X","","","0.71073","MoKα","","0.0378","0.0272","","","0.0825","0.0847","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017284","20.3572","0.001","11.3133","0.0005","7.8904","0.0004","90","","90","","90","","1817.22","0.15","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]silver(I) nitrate dihydrate","","- C14 H24 Ag N5 O5 -","- C14 H24 Ag N5 O5 -","- C56 H96 Ag4 N20 O20 -","4","0.5","FG3107","Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.","Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]silver(I) nitrate dihydrate","Acta Crystallographica Section C","2009","65","9","m352","m354","10.1107/S0108270109030509","","","0.71073","MoKα","","0.0534","0.0327","","","0.058","0.0638","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017285","6.8793","0.0017","7.644","0.002","8.026","0.003","101.51","0.02","112.03","0.02","92.82","0.03","379.8","0.2","167","2","167","2","","","","","","","","4","P -1","-P 1","2","cobalt(II) fumarate trihydrate","Poly[triaqua-μ~4~-fumarato-cobalt(II)]","","- C4 H8 Co O7 -","- C4 H8 Co O7 -","- C8 H16 Co2 O14 -","2","1","FG3108","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate","Acta Crystallographica Section C","2009","65","9","m347","m351","10.1107/S0108270109030510","","","0.71073","MoKα","","0.0661","0.0377","","","0.0817","0.091","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017286","15.547","0.004","7.02","0.002","8.227","0.0013","90","","115.73","0.02","90","","808.9","0.4","165","2","165","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt(II) fumarate methanol disolvate","poly[μ~4~-fumarato-dimethanolcobalt(II)]","","- C6 H10 Co O6 -","- C6 H10 Co O6 -","- C24 H40 Co4 O24 -","4","0.5","FG3108","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate","Acta Crystallographica Section C","2009","65","9","m347","m351","10.1107/S0108270109030510","","","0.71073","MoKα","","0.0282","0.0226","","","0.0581","0.0608","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017287","5.2561","0.0011","13.145","0.002","13.321","0.003","90","","95.188","0.016","90","","916.6","0.3","166","2","166","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt(II) fumarate pentahydrate","<i>catena</i>-poly[[[tetraaquacobalt(II)]-μ~2~-fumarato] monohydrate]","","- C4 H12 Co O9 -","- C4 H12 Co O9 -","- C16 H48 Co4 O36 -","4","0.5","FG3108","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate","Acta Crystallographica Section C","2009","65","9","m347","m351","10.1107/S0108270109030510","","","0.71073","MoKα","","0.0188","0.0181","","","0.0487","0.0489","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017288","31.212","0.003","11.3211","0.0009","15.114","0.0013","90","","90","","90","","5340.6","0.8","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di- μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate","","- C51 H46 O P2 S10 W Zn -","- C51 H46 O P2 S10 W Zn -","- C204 H184 O4 P8 S40 W4 Zn4 -","4","1","FG3117","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza","Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di-μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate","Acta Crystallographica Section C","2009","65","9","m331","m332","10.1107/S0108270109029072","","","0.71073","MoKα","","0.064","0.0542","","","0.0974","0.1004","","","","","","1.247","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017289","20.9613","0.0013","9.3021","0.0005","13.379","0.0008","90","","100.399","0.001","90","","2565.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-dithiodibenzoic acid‒1,3-di-4-pyridylpropane (1/1)","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","FG3122","Wang, Li-Li; Chang, Hong; Yang, En-Cui","Hydrogen-bonded zigzag chains in 2,2'-dithiodibenzoic acid‒1,3-di-4-pyridylpropane (1/1)","Acta Crystallographica Section C","2009","65","9","o492","o494","10.1107/S010827010903340X","","","0.71073","MoKα","","0.055","0.0346","","","0.0956","0.1172","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017290","17.0142","0.0013","5.9064","0.0004","19.9254","0.0015","90","","94.228","0.001","90","","1996.9","0.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium) 2,2'-dithiodibenzoate","","- C20 H18 N4 O4 S2 -","- C20 H18 N4 O4 S2 -","- C80 H72 N16 O16 S8 -","4","0.5","FG3123","Wei, Linheng; Wang, Ziliang; Meng, Xianggao","Three-dimensional networks in bis(imidazolium) 2,2'-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate","Acta Crystallographica Section C","2009","65","9","o453","o456","10.1107/S0108270109030686","","","0.71073","Mokα","","0.0644","0.0461","","","0.119","0.1285","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017291","8.2486","0.0005","10.1528","0.0006","11.3724","0.0007","70.359","0.001","82.112","0.002","81.285","0.001","882.81","0.09","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C36 H32 N4 O8 S4 -","2","1","FG3123","Wei, Linheng; Wang, Ziliang; Meng, Xianggao","Three-dimensional networks in bis(imidazolium) 2,2'-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate","Acta Crystallographica Section C","2009","65","9","o453","o456","10.1107/S0108270109030686","","","0.71073","Mokα","","0.0498","0.0413","","","0.1177","0.1357","","","","","","1.125","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017292","7.4307","0.0008","10.8485","0.0011","13.5487","0.0014","74.685","0.002","85.084","0.002","88.818","0.002","1049.52","0.19","187","2","187","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[diaquasilver(I)] [bis[aquacopper(II)]-μ-pyridine-2,5-dicarboxylato- 2:1κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^,<i>O</i>^5'^- μ~3~-pyridine-2,5-dicarboxylato- 2':1:1'κ^5^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^- disilver(I)-μ~3~-pyridine-2,5-dicarboxylato- 1:1':2''κ^5^<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^:<i>N</i>,<i>O</i>^2^- μ-pyridine-2,5-dicarboxylato- 1':2'''κ^4^<i>O</i>^5^,<i>O</i>^5'^:<i>N</i>,<i>O</i>^2^] hexahydrate]","","- C14 H18 Ag2 Cu N2 O14 -","- C14 H18 Ag2 Cu N2 O14 -","- C28 H36 Ag4 Cu2 N4 O28 -","2","1","FN3027","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing mixed-metal coordination polymers from copper(II)‒pyridinedicarboxylate metalloligands","Acta Crystallographica Section C","2009","65","9","m333","m336","10.1107/S010827010902890X","","","0.71073","MoKα","","0.0515","0.0386","","","0.0914","0.097","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017293","9.2322","0.0003","9.2322","0.0003","12.0541","0.0005","90","","90","","120","","889.77","0.06","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","Lithium Carnallite","Lithium magnesium chloride heptahydrate","","- Cl3 H14 Li Mg O7 -","- Cl3 H14.01 Li Mg O7 -","- Cl9 H42.03 Li3 Mg3 O21 -","3","0.333333","FN3030","Schmidt, Horst; Euler, Bernhard; Voigt, Wolfgang; Heide, Gerhard","Lithium carnallite, LiCl·MgCl~2~·7H~2~O","Acta Crystallographica Section C","2009","65","9","i57","i59","10.1107/S0108270109029448","","","0.71073","MoKα","","0.0165","0.0156","","","0.0383","0.0384","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017294","10.4112","0.0005","11.5745","0.0005","19.1907","0.0009","96.319","0.004","93.869","0.005","100.628","0.004","2249.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~2~-naphthalene-1,4- dicarboxylato)zinc(II)]","","- C26 H20 N4 O4 Zn -","- C26 H20 N4 O4 Zn -","- C104 H80 N16 O16 Zn4 -","4","2","GD3296","Li, Ya-Ping; Sun, Da-Jun; Zang, Hu; Su, Guan-Fang; Li, Yu-Lin","A novel parallel interpenetrating two-dimensional (4,4) network: poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~2~-naphthalene-1,4-dicarboxylato)zinc(II)]","Acta Crystallographica Section C","2009","65","9","m340","m342","10.1107/S0108270109029084","","","0.71073","MoKα","","0.1034","0.0455","","","0.0881","0.0957","","","","","","0.831","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017295","13.6042","0.0002","20.8734","0.0004","11.4525","0.0002","90","","116.279","0.0011","90","","2916.02","0.09","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5,10,15,20-tetra-4-pyridylporphyrin","","- C40 H26 N8 -","- C40 H26 N8 -","- C160 H104 N32 -","4","1","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.059","0.0493","","","0.1213","0.1272","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017296","15.2155","0.0004","15.2155","0.0004","13.5388","0.0006","90","","90","","90","","3134.39","0.18","110","2","110","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","5,10,15,20-tetra-4-pyridylporphyrin 1.514-hydrate","","- C40 H29.028 N8 O1.514 -","- C40 H29.028 N8 O1.514 -","- C160 H116.112 N32 O6.056 -","4","0.25","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.0858","0.0513","","","0.1044","0.1151","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017297","6.5563","0.0002","10.0441","0.0003","16.1903","0.0005","77.841","0.002","88.9097","0.0019","79.6939","0.0014","1025.24","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","5,10,15,20-tetra-4-pyridylporphyrin 2-chlorophenol disolvate","","- C52 H36 Cl2 N8 O2 -","- C52 H36 Cl2 N8 O2 -","- C52 H36 Cl2 N8 O2 -","1","0.5","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.0823","0.0583","","","0.1415","0.1558","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017298","9.5382","0.0007","9.9155","0.0006","28.2197","0.0019","90","","90","","90","","2668.9","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","4-amino-5-cyano-1-(β-D-ribofuranosyl)-7<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidine hemihydrate","","- C12 H14 N5 O4.5 -","- C12 H14 N5 O4.5 -","- C96 H112 N40 O36 -","8","1","GG3204","Seela, Frank; Ingale, Sachin A.; Leonard, Peter; Eickmeier, Henning; Reuter, Hans","A toyocamycin analogue with the sugar moiety in a <i>syn</i> conformation","Acta Crystallographica Section C","2009","65","9","o431","o434","10.1107/S0108270109029813","","","0.71073","MoKα","","0.0365","0.0313","","","0.0723","0.0752","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017299","7.9112","0.0011","5.5582","0.0006","30.665","0.003","90","","94.541","0.01","90","","1344.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitro-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,6-diamine","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C64 H52 N20 O8 -","4","1","GG3208","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","5-Nitro-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,6-diamine: polarized molecules linked into π-stacked chains <i>via</i> three-centre C—H···(O)~2~ hydrogen bonds","Acta Crystallographica Section C","2009","65","9","o438","o440","10.1107/S0108270109029618","","","0.71073","MoKα","","0.1408","0.0566","","","0.117","0.1526","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017300","21.4869","0.0007","7.0302","0.0003","14.181","0.0005","90","","126.173","0.002","90","","1729.22","0.12","120","2","120","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(<i>E</i>)-3-(4-Methylphenyl)-2-(2-thienyl)acrylonitrile","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","0.75","GG3209","Cobo, Debora; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-(4-Methylphenyl)-2-(2-thienyl)acrylonitrile has <i>Z</i>' = 0.75 in the space group <i>C</i>2/<i>m</i>: fourfold disordered molecules lie in channels enclosed by fully ordered molecules","Acta Crystallographica Section C","2009","65","9","o444","o446","10.1107/S0108270109029667","","","0.71073","MoKα","","0.0634","0.0583","","","0.1305","0.1324","","","","","","1.25","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017301","8.9868","0.0002","10.8718","0.0004","12.4359","0.0004","94.333","0.002","93.634","0.003","102.49","0.002","1178.9","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(Phenylmethylene)bis(6-allyl-3-chloro-2-methylaniline)","","- C27 H28 Cl2 N2 -","- C27 H28 Cl2 N2 -","- C54 H56 Cl4 N4 -","2","1","GG3211","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Sterically shielded pyramidal amino groups in two 4,4'-(arylmethylene)bis(6-allyl-3-chloro-2-methylaniline) derivatives","Acta Crystallographica Section C","2009","65","9","o479","o482","10.1107/S0108270109031175","","","0.71073","MoKα","","0.0849","0.0611","","","0.1158","0.1282","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017302","8.7263","0.0002","10.6766","0.0002","12.2691","0.0003","77.11","0.001","87.793","0.001","82.367","0.002","1104.35","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4,4'-(2-thienylmethylene)bis(6-allyl-3-chloro-2-methylaniline)","","- C25 H26 Cl2 N2 S -","- C25 H26 Cl2 N2 S -","- C50 H52 Cl4 N4 S2 -","2","1","GG3211","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Sterically shielded pyramidal amino groups in two 4,4'-(arylmethylene)bis(6-allyl-3-chloro-2-methylaniline) derivatives","Acta Crystallographica Section C","2009","65","9","o479","o482","10.1107/S0108270109031175","","","0.71073","MoKα","","0.0493","0.0397","","","0.0804","0.0862","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017303","10.7959","0.0011","14.2116","0.0016","17.4303","0.0011","90","","90","","90","","2674.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-chloro- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H11 Br Cl N O S -","- C14 H11 Br Cl N O S -","- C112 H88 Br8 Cl8 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1156","0.0499","","","0.0625","0.0763","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017304","8.3789","0.0012","9.6964","0.0014","30.952","0.004","90","","90","","90","","2514.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-methyl-2-thienyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H15 N O S -","- C15 H15 N O S -","- C120 H120 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1127","0.0503","","","0.0964","0.1213","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017305","15.042","0.003","15.739","0.003","5.6216","0.0013","90","","100.12","0.016","90","","1310.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-7-chloro-2-<i>exo</i>-(5-methyl-2-thienyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H14 Cl N O S -","- C15 H14 Cl N O S -","- C60 H56 Cl4 N4 O4 S4 -","4","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.0729","0.0423","","","0.0826","0.094","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017306","7.5367","0.0002","9.8819","0.0003","11.7402","0.0004","90","","96.28","0.003","90","","869.13","0.05","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(nitrato-κ<i>O</i>)bis(pyridine-4-carboxamide- κ<i>N</i>^1^)copper(II)","","- C12 H16 Cu N6 O10 -","- C12 H16 Cu N6 O10 -","- C24 H32 Cu2 N12 O20 -","2","0.5","GT3009","Daković, Marijana; Popović, Zora","Uncommon isonicotinamide supramolecular synthons in copper(II) complexes directed by nitrate and perchlorate anions","Acta Crystallographica Section C","2009","65","9","m361","m366","10.1107/S0108270109031989","","","0.71073","MoKα","","0.0291","0.0241","","","0.0666","0.0692","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017307","18.7783","0.0003","9.5648","0.0002","18.263","0.0002","90","","92.09","0.001","90","","3278.05","0.09","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Diaquatetrakis(pyridine-4-carboxamide-κ<i>N</i>^1^)copper(II) bis(perchlorate)","","- C24 H28 Cl2 Cu N8 O14 -","- C24 H28 Cl2 Cu N8 O14 -","- C96 H112 Cl8 Cu4 N32 O56 -","4","0.5","GT3009","Daković, Marijana; Popović, Zora","Uncommon isonicotinamide supramolecular synthons in copper(II) complexes directed by nitrate and perchlorate anions","Acta Crystallographica Section C","2009","65","9","m361","m366","10.1107/S0108270109031989","","","0.71073","MoKα","","0.0355","0.0322","","","0.0871","0.0886","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017308","8.5031","0.0015","11.387","0.002","14.075","0.003","90","","90","","90","","1362.8","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-difluorophenyl)formamide","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C56 H40 F16 N8 O8 -","8","1","GZ3168","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide","Acta Crystallographica Section C","2009","65","9","o470","o475","10.1107/S0108270109032004","","","0.71073","MoKα","","","0.0372","","","","0.0999","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017309","4.468","0.002","8.486","0.003","8.881","0.001","90","","100.698","0.005","90","","330.87","0.19","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(2,6-difluorophenyl)formamide","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C14 H10 F4 N2 O2 -","2","1","GZ3168","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide","Acta Crystallographica Section C","2009","65","9","o470","o475","10.1107/S0108270109032004","","","0.71073","MoKα","","","0.0313","","","","0.0762","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017310","8.113","0.002","13.852","0.002","14.9846","0.0003","90","","103.013","0.002","90","","1640.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4-[(Carbamimidoylhydrazono)methyl-κ^2^<i>N</i>^1^,<i>N</i>^4^]-5- hydroxymethyl-2-methylpyridinium-3-olate-κ<i>O</i>}(methanol- κ<i>O</i>)copper(II) dinitrate","","- C10 H17 Cu N7 O9 -","- C10 H17 Cu N7 O9 -","- C40 H68 Cu4 N28 O36 -","4","1","SF3109","Leovac, Vukadin M.; Vojinović-Ješić, Ljiljana S.; Češljević, Valerija I.; Novaković, Sladjana B.; Bogdanović, Goran A.","{4-[(Carbamimidoylhydrazono)methyl-κ^2^<i>N</i>^1^,<i>N</i>^4^]-5-hydroxymethyl-2-methylpyridinium-3-olate-κ<i>O</i>}(methanol-κ<i>O</i>)copper(II) dinitrate","Acta Crystallographica Section C","2009","65","9","m337","m339","10.1107/S0108270109029023","","","0.71073","MoKα","","0.0613","0.0453","","","0.1367","0.1414","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017311","15.4321","0.0017","9.4632","0.0011","9.9958","0.0011","90","","108.414","0.002","90","","1385","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis{μ-dihydrogen [(5-carboxypentylimino)dimethylene]diphosphonato- κ^2^<i>O</i>:<i>O</i>'}cadmium(II)]","","- C16 H36 Cd N2 O16 P4 -","- C16 H36 Cd N2 O16 P4 -","- C32 H72 Cd2 N4 O32 P8 -","2","0.5","SF3111","Ying, Shao-Ming; Fang, Xiao-Niu; Zhong, Fan; Wu, Jian-Hong; Kuang, Ren-Yun","<i>catena</i>-Poly[bis{μ-dihydrogen [(5-carboxypentylimino)dimethylene]diphosphonato-κ^2^<i>O</i>:<i>O</i>'}cadmium(II)]","Acta Crystallographica Section C","2009","65","9","m358","m360","10.1107/S0108270109030893","","","0.71073","MoKα","","0.0568","0.0384","","","0.0864","0.0886","","","","","","0.869","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017312","34.3729","0.0017","8.7718","0.0005","13.6662","0.0009","90","","111.847","0.002","90","","3824.6","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{2-[2-(4-Methoxybenzoyl)ethylamino]-4-nitroanilino}ethyl acetate","","- C20 H23 N3 O6 -","- C20 H23 N3 O6 -","- C160 H184 N24 O48 -","8","1","SF3112","Insuasty, Braulio; Caldfas, Yupanqui; Cobo, Justo; Glidewell, Christopher","2-{2-[2-(4-Methoxybenzoyl)ethylamino]-4-nitroanilino}ethyl acetate: complex sheets built from five independent hydrogen bonds","Acta Crystallographica Section C","2009","65","9","o483","o486","10.1107/S0108270109032235","","","0.71073","MoKα","","0.1475","0.062","","","0.1297","0.1603","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017313","6.6421","0.0004","5.9519","0.0003","31.516","0.0018","90","","90.687","0.003","90","","1245.84","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5:3,7-dimethano-1,3,5,7-benzotetrazonine‒hydroquinone (2/1)","","- C14 H17 N4 O -","- C28 H34 N8 O2 -","- C56 H68 N16 O4 -","2","0.5","SK3334","Rivera, Augusto; Guevara-Pulido, James; Sadat-Bernal, John; Ríos-Motta, Jaime; Zaragoza, Guillermo","The solid-state 2:1 molecular complex of 1,5:3,7-dimethano-1,3,5,7-benzotetrazonine with hydroquinone","Acta Crystallographica Section C","2009","65","9","o435","o437","10.1107/S0108270109025499","","","0.7107","MoKα","","0.0775","0.0494","","","0.1088","0.1205","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017314","19.606","0.002","5.7354","0.0006","25.4316","0.0018","90","","127.755","0.005","90","","2261","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Methylenediphenol‒4,4'-bipyridine (2/3)","","- C56 H48 N6 O4 -","- C56 H48 N6 O4 -","- C112 H96 N12 O8 -","2","0.5","SQ3200","Zhang, Zhi-Hui; Tan, Xue; Chen, Sheng-Chun","4,4'-Methylenediphenol‒4,4'-bipyridine (2/3): decarboxylation of 5,5'-methylenedisalicylic acid under hydrothermal conditions","Acta Crystallographica Section C","2009","65","9","o457","o459","10.1107/S0108270109030832","","","0.71073","MoKα","","0.067","0.0414","","","0.1042","0.1195","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017315","15.7072","0.0003","12.4989","0.0002","11.271","0.0002","90","","103.599","0.001","90","","2150.72","0.07","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trisodium(I) managnese(III) citrate(3-) dihydrate","","- C6 H9 Mn0.011 Na3 O9 -","- C6 H9 Mn0.0112 Na3 O9 -","- C48 H72 Mn0.0896 Na24 O72 -","8","1","SQ3205","Poleti, Dejan; Karanović, Ljiljana; Dordjević, Tamara; Duriš, Katarina","Sodium citrate dihydrate doped with Mn^3+^ ions","Acta Crystallographica Section C","2009","65","9","m355","m357","10.1107/S0108270109030595","","","0.71069","MoKα","","0.0327","0.0289","","","0.0769","0.0782","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017316","12.628","0.003","4.1398","0.0008","14.953","0.003","90","","90","","90","","781.7","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium dierbium tetraselenide","","- Ba Er2 Se4 -","- Ba Er2 Se4 -","- Ba4 Er8 Se16 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0268","0.0249","","","0.066","0.0664","","","","","","1.539","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017317","12.605","0.003","4.1311","0.0008","14.919","0.003","90","","90","","90","","776.9","0.3","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium dithulium tetraselenide","","- Ba Se4 Tm2 -","- Ba Se4 Tm2 -","- Ba4 Se16 Tm8 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0185","0.0176","","","0.042","0.0423","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017318","12.58","0.003","4.115","0.0008","14.86","0.003","90","","90","","90","","769.3","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium diytterbium tetraselenide","","- Ba Se4 Yb2 -","- Ba Se4 Yb2 -","- Ba4 Se16 Yb8 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0204","0.0182","","","0.0411","0.0416","","","","","","1.219","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017319","9.6393","0.0002","15.4265","0.0004","7.4346","0.0002","90","","111.984","0.001","90","","1025.15","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[di-μ~2~-aqua-bis(hydroxylamido)-μ~3~-malonato-oxidosodiumvanadium(V)]","","- C3 H10 N2 Na O9 V -","- C3 H10 N2 Na O9 V -","- C12 H40 N8 Na4 O36 V4 -","4","1","DN3120","Zhang, Qi-Ying; Zhang, Heng-Qiang; Kong, Ai-Guo; Yang, Qian; Shan, Yong-Kui","A three-dimensional supramolecular vanadium hydroxylamide complex: poly[di-μ~2~-aqua-bis(hydroxylamido)-μ~3~-malonato-oxidosodiumvanadium(V)]","Acta Crystallographica Section C","2009","65","10","m401","m403","10.1107/S0108270109036300","","","0.71073","MoKα","","0.0265","0.0233","","","0.0626","0.0649","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017320","14.8094","0.0011","6.4226","0.0007","7.0194","0.0008","90","","90.949","0.009","90","","667.56","0.12","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[aqua(4,4'-diazenediyldibenzoato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')cadmium(II)]","","- C14 H10 Cd N2 O5 -","- C14 H10 Cd N2 O5 -","- C28 H20 Cd2 N4 O10 -","2","0.5","DN3124","Wang, Ru-Guo; Qiao, Qian; Tang, Tian-Di","Poly[[aqua(4,4'-diazenediyldibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')cadmium(II)]: a twofold interpenetrated three-dimensional coordination polymer of PtS topology","Acta Crystallographica Section C","2009","65","10","m388","m390","10.1107/S0108270109035501","","","0.71073","MoKα","","0.0487","0.0343","","","0.0687","0.0722","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017321","10.0058","0.0002","20.0564","0.0004","10.9787","0.0002","90","","92.464","0.001","90","","2201.17","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octakis(dimethylammonium) hexa-μ~2~-chlorido-hexachloridotrinickelate(II) dichloride","","- C16 H64 Cl14 N8 Ni3 -","- C16 H64 Cl14 N8 Ni3 -","- C32 H128 Cl28 N16 Ni6 -","2","0.5","DN3125","Gerdes, Allison; Bond, Marcus R.","Octakis(dimethylammonium) hexa-μ~2~-chlorido-hexachloridotrinickelate(II) dichloride: a linear trinickel complex with asymmetric bridging","Acta Crystallographica Section C","2009","65","10","m398","m400","10.1107/S0108270109036853","","","0.71073","MoKα","","0.0567","0.0318","","","0.047","0.0519","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017322","9.11787","0.00006","9.11787","0.00006","9.11787","0.00006","90","","90","","90","","758.019","0.009","530","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","zirconium vanadium tungstate","","- O7.9 V0.2 W1.8 Zr -","- O7.9 V0.2 W1.8 Zr -","- O31.6 V0.8 W7.2 Zr4 -","4","0.166667","FA3187","Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua","Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and neutron powder diffraction study at 530 K","Acta Crystallographica Section C","2009","65","10","i74","i76","10.1107/S0108270109028856","powder diffraction","","","","","","","","","","","","","2.49","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017323","4.022","0.0017","4.022","0.0017","17.408","0.008","90","","90","","120","","243.87","0.18","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","CaIn~2~P~2~","calcium indium phosphide","","- Ca In2 P2 -","- Ca In2 P2 -","- Ca2 In4 P4 -","2","0.0833333","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0359","0.028","","","0.0652","0.0728","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017324","4.0945","0.0016","4.0945","0.0016","17.812","0.007","90","","90","","120","","258.61","0.18","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","SrIn~2~P~2~","strontium indium phosphide","","- In2 P2 Sr -","- In2 P2 Sr -","- In4 P4 Sr2 -","2","0.0833333","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0171","0.0146","","","0.0344","0.0367","","","","","","1.251","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017325","9.9652","0.0008","4.1789","0.0003","12.9834","0.001","90","","95.326","0.002","90","","538.34","0.07","90","2","90","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","BaIn2P2","barium indium phosphide","","- Ba In2 P2 -","- Ba In2 P2 -","- Ba4 In8 P8 -","4","1","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0493","0.0383","","","0.0887","0.0931","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017326","17.1527","0.0003","28.5415","0.0006","13.5331","0.0002","90","","112.984","0.001","90","","6099.36","0.19","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diaquatetranitrato[5-(pyridinium-4-yl)-10,15,20-tri-4- pyridylporphyrin]lanthanum(III) 1,2-dichlorobenzene trisolvate","","- C58 H43 Cl6 La N12 O14 -","- C52 H39 Cl4 La N12 O14 -","- C208 H156 Cl16 La4 N48 O56 -","4","1","FA3203","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded three-dimensional network of a lanthanum(III) exocyclic complex with 5,10,15,20-tetra-4-pyridylporphyrin","Acta Crystallographica Section C","2009","65","10","m371","m373","10.1107/S0108270109034532","","","0.71073","MoKα","","0.1218","0.0625","","","0.1304","0.1478","","","","","","0.942","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017327","8.6312","0.0017","8.413","0.0017","15.301","0.003","90","","95.71","0.03","90","","1105.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[propane-1,3-diaminium hexa-μ-oxido-dioxidotellurium(IV)divanadium(V)]","","- C3 H12 N2 O8 Te V2 -","- C3 H12 N2 O8 Te V2 -","- C12 H48 N8 O32 Te4 V8 -","4","1","FA3204","Huang, Xihe; Liu, Zhongqian; Huang, Changcang; Shen, Lijuan; Yan, Xiaobao","New organically templated vanadium tellurites: (H~2~pn)[V~2~TeO~8~] (pn is propane-1,3-diamine)","Acta Crystallographica Section C","2009","65","10","m404","m406","10.1107/S0108270109038190","","","0.71073","MoKα","","0.0273","0.0207","","","0.051","0.0523","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017328","7.895","0.001","9.318","0.0009","9.313","0.0011","60.187","0.008","72.998","0.009","95.1","0.01","545.33","0.13","293","","293","1","","","","","","","","4","P -1","-P 1","2","","1,3-dibromo-5-iodo-2,4,6-trimethylbenzene","","- C9 H9 Br2 I -","- C9 H9 Br2.001 I0.999 -","- C18 H18 Br4.002 I1.998 -","2","1","FG3100","Ghanemi, Soumia; Hernandez, Olivier; Boudjada, Ali; Meinnel, Jean","Rotationally disordered phase of 1,3-dibromo-5-iodo-2,4,6-trimethylbenzene at 293 K","Acta Crystallographica Section C","2009","65","10","o498","o501","10.1107/S0108270109032715","","","0.71073","MoKα","","0.0906","0.0399","","0.0667","","0.0436","","","","","","1.1769","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017329","6.306","0.002","9.325","0.003","10.04","0.004","62.508","0.003","86.763","0.004","73.842","0.004","501.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4,4'-bipyridinium tetrachloroterephthalate dihydrate","","- C18 H14 Cl4 N2 O6 -","- C18 H14 Cl4 N2 O6 -","- C18 H14 Cl4 N2 O6 -","1","0.5","FG3128","He, Ming-Yang; Zhang, Zhi-Hui; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin","Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate","Acta Crystallographica Section C","2009","65","10","o525","o528","10.1107/S0108270109037500","","","0.71073","MoKα","","0.0415","0.0388","","","0.1251","0.1278","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017330","8.2931","0.0011","12.0916","0.0016","12.3108","0.0016","102.127","0.002","109.454","0.001","106.072","0.002","1054.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate","","- C40 H26 Cl8 N4 O11 -","- C40 H20 Cl8 N4 O11 -","- C40 H20 Cl8 N4 O11 -","1","0.5","FG3128","He, Ming-Yang; Zhang, Zhi-Hui; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin","Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate","Acta Crystallographica Section C","2009","65","10","o525","o528","10.1107/S0108270109037500","","","0.71073","MoKα","","0.0509","0.0444","","","0.1343","0.1467","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017331","6.3371","0.0002","8.4915","0.0005","8.7216","0.0005","77.037","0.002","76.362","0.003","80.093","0.003","440.93","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","dmh102","(+<i>ac</i>,-<i>ac</i>)-<i>trans</i>-bis(3-isopropyl-7-oxocyclohepta- 1,3,5-trienolato)copper(II)","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","1","0.5","FN3033","Ho, Douglas M.; Berardini, Michael E.; Arvanitis, Georgia M.","(+<i>ac</i>,{-}<i>ac</i>)-<i>trans</i>-Bis(hinokitiolato)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2009","65","10","m391","m394","10.1107/S0108270109034647","","","0.71073","MoKα","","0.0953","0.0654","","","0.1775","0.2039","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017332","6.1893","0.0002","8.4581","0.0003","25.7989","0.001","95.73","0.002","91.884","0.002","100.878","0.003","1317.82","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","dmh099","(+<i>ac</i>,-<i>ac</i>)-<i>trans</i>-bis(3-isopropyl-7-oxocyclohepta- 1,3,5-trienolato)copper(II) chloroform disolvate","","- C22 H24 Cl6 Cu O4 -","- C22 H24 Cl6 Cu O4 -","- C44 H48 Cl12 Cu2 O8 -","2","1","FN3033","Ho, Douglas M.; Berardini, Michael E.; Arvanitis, Georgia M.","(+<i>ac</i>,{-}<i>ac</i>)-<i>trans</i>-Bis(hinokitiolato)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2009","65","10","m391","m394","10.1107/S0108270109034647","","","0.71073","MoKα","","0.0754","0.0496","","","0.1234","0.1363","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017333","10.8169","0.0003","8.0588","0.0002","15.8422","0.0004","90","","91.326","0.003","90","","1380.61","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-ethyl-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C14 H14 I N O3 -","- C14 H14 I N O3 -","- C56 H56 I4 N4 O12 -","4","1","GA3130","Bauer, Jurica; Milić, Dalibor; Modrić, Marina","Three quinolone compounds featuring O···I halogen bonding","Acta Crystallographica Section C","2009","65","10","o512","o516","10.1107/S0108270109036361","","","0.71073","MoKα","","0.0362","0.0259","","","0.0743","0.0796","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017334","10.8406","0.0002","8.2843","0.0002","15.9269","0.0003","90","","93.127","0.002","90","","1428.21","0.05","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-cyclopropyl-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C15 H14 I N O3 -","- C15 H14 I N O3 -","- C60 H56 I4 N4 O12 -","4","1","GA3130","Bauer, Jurica; Milić, Dalibor; Modrić, Marina","Three quinolone compounds featuring O···I halogen bonding","Acta Crystallographica Section C","2009","65","10","o512","o516","10.1107/S0108270109036361","","","0.71073","MoKα","","0.0463","0.0287","","","0.0728","0.0785","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017335","10.8437","0.0003","9.966","0.0002","14.4482","0.0004","90","","108.436","0.003","90","","1481.26","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-(dimethylamino)-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C14 H15 I N2 O3 -","- C14 H15 I N2 O3 -","- C56 H60 I4 N8 O12 -","4","1","GA3130","Bauer, Jurica; Milić, Dalibor; Modrić, Marina","Three quinolone compounds featuring O···I halogen bonding","Acta Crystallographica Section C","2009","65","10","o512","o516","10.1107/S0108270109036361","","","0.71073","MoKα","","0.0418","0.0304","","","0.0752","0.0785","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017336","8.5265","0.0008","8.5265","0.0008","24.388","0.002","90","","90","","90","","1773","0.3","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","pyridinium trifluoromethanesulfonate","","- C6 H6 F3 N O3 S -","- C6 H6 F3 N O3 S -","- C48 H48 F24 N8 O24 S8 -","8","1","GA3132","Goldberg, Israel","Coulombic interactions, hydrogen bonding and supramolecular chirality in pyridinium trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","10","o509","o511","10.1107/S0108270109034866","","","0.71073","MoKα","","0.0994","0.0594","","","0.1095","0.1206","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017337","15.1899","0.0003","9.8327","0.0002","17.1131","0.0004","90","","100.78","0.001","90","","2510.87","0.09","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydro(pyrazol-1-yl- κ<i>N</i>^2^)borato][(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dihydro(pyrazol- 1-yl-κ<i>N</i>^2^)borato]nickel(II)","","- C21 H30 B2 N10 Ni -","- C21 H30 B2 N10 Ni -","- C84 H120 B8 N40 Ni4 -","4","1","GD3299","Vachon, Jason; Schougaard, Steen Brian","[Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydro(pyrazol-1-yl-κ<i>N</i>^2^)borato][(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dihydro(pyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II)","Acta Crystallographica Section C","2009","65","10","m382","m384","10.1107/S0108270109030789","","","1.54178","CuKα","","0.0606","0.0447","","","0.1336","0.1416","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017338","8.9267","0.0005","11.1863","0.0006","14.6796","0.0004","90","","104.788","0.003","90","","1417.3","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","2","GD3303","Callear, Samantha K.; Hursthouse, Michael B.","A new polymorph of 2-methyl-6-nitroaniline","Acta Crystallographica Section C","2009","65","10","o539","o542","10.1107/S0108270109035069","","","0.71073","MoKα","","0.0766","0.0491","","","0.1053","0.117","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017339","3.9248","0.0002","12.8496","0.0008","14.2746","0.0009","90","","91.464","0.004","90","","719.66","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","GD3303","Callear, Samantha K.; Hursthouse, Michael B.","A new polymorph of 2-methyl-6-nitroaniline","Acta Crystallographica Section C","2009","65","10","o539","o542","10.1107/S0108270109035069","","","0.71073","MoKα","","0.0768","0.0451","","","0.1069","0.1254","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017340","8.7174","0.0007","20.116","0.0016","11.8827","0.0009","90","","97.145","0.002","90","","2067.6","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-aminophenyl)-1-phenylhydrazin-1-ium 3-carboxy-4-hydroxybenzenesulfonate methanol solvate","","- C20 H21 N3 O7 S -","- C20 H21 N3 O7 S -","- C80 H84 N12 O28 S4 -","4","1","GD3306","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","Proton transfer <i>versus</i> nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o543","o548","10.1107/S0108270109036622","","","0.71073","MoKα","","0.0456","0.0377","","","0.0969","0.101","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017341","5.7601","0.0004","13.0794","0.0008","23.6556","0.0015","77.937","0.005","83.985","0.005","86.971","0.005","1732.4","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4-phenylazoanilinium benzenesulfonate","2-(4-aminophenyl)-1-phenylhydrazin-1-ium (4-phenyldiazenyl)anilinium bis(benzenesulfonate)","","- C36 H34 N6 O6 S2 -","- C36 H34 N6 O6 S2 -","- C72 H68 N12 O12 S4 -","2","1","GD3306","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","Proton transfer <i>versus</i> nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o543","o548","10.1107/S0108270109036622","","","0.71073","MoKα","","0.0515","0.0361","","","0.0898","0.0939","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017342","8.2048","0.0007","8.8859","0.0007","11.5802","0.0009","112.292","0.008","92.56","0.007","114.072","0.008","693.09","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-(phenyldiazenyl)aniline‒3,5-dinitrobenzoic acid (1/2)","","- C26 H19 N7 O12 -","- C26 H19 N7 O12 -","- C26 H19 N7 O12 -","1","0.5","GD3306","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","Proton transfer <i>versus</i> nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o543","o548","10.1107/S0108270109036622","","","0.71073","MoKα","","0.0408","0.0299","","","0.0818","0.0851","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017343","6.9254","0.001","7.4746","0.0011","14.31","0.002","75.861","0.004","89.207","0.003","79.842","0.004","706.72","0.18","185","1","185","1","","","","","","","","5","P -1","-P 1","2","","2-chloro-5-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0365","0.0325","","","0.0925","0.0957","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017344","7.6022","0.0003","7.6251","0.0004","12.9978","0.0005","82.3","0.002","75.1792","0.0012","85.3277","0.0019","720.94","0.06","185","1","185","1","","","","","","","","5","P -1","-P 1","2","","3-chloro-2-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0431","0.0366","","","0.1017","0.1062","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017345","7.9684","0.0008","8.6178","0.0007","11.1202","0.0009","88.959","0.002","80.348","0.003","78.671","0.003","738.06","0.11","185","1","185","1","","","","","","","","5","P -1","-P 1","2","","4-chloro-2-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0433","0.0372","","","0.1018","0.1061","","","","","","1.076","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017346","7.0456","0.0004","22.6829","0.0013","9.6273","0.0006","90","","106.318","0.0018","90","","1476.6","0.15","185","1","185","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-chloro-2-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C64 H44 Cl4 N8 O16 -","4","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0409","0.0349","","","0.0897","0.0929","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017347","10.442","0.002","13.004","0.002","10.8849","0.0019","90","","111.119","0.009","90","","1378.8","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(1<i>H</i>-Pyrrol-2-yl)-1<i>H</i>-pyrazole","","- C7 H7 N3 -","- C7 H7 N3 -","- C56 H56 N24 -","8","2","GG3214","Marriott, Katie E. R.; Kilner, Colin A.; Halcrow, Malcolm A.","3-(1<i>H</i>-Pyrrol-2-yl)-1<i>H</i>-pyrazole forms an unusual hydrogen-bonded two-dimensional (3,4)-connected net","Acta Crystallographica Section C","2009","65","10","o506","o508","10.1107/S0108270109034568","","","0.71073","MoKα","","0.054","0.0394","","","0.1008","0.1108","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017348","12.7022","0.001","10.671","0.0008","13.5477","0.0011","90","","108.316","0.001","90","","1743.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~3~-<i>N'</i>-(3-cyanobenzylidene)nicotinohydrazide]silver(I)] hexafluoroarsenate]","","- C14 H10 Ag As F6 N4 O -","- C14 H10 Ag As F6 N4 O -","- C56 H40 Ag4 As4 F24 N16 O4 -","4","1","MX3016","Niu, Cao-Yuan; Ning, Ai-Min; Meng, Lei; Kou, Chun-Hong; He, Yong","A stair-like two-dimensional silver(I) coordination polymer of <i>N</i>'-(3-cyanobenzylidene)nicotinohydrazide","Acta Crystallographica Section C","2009","65","10","m407","m410","10.1107/S0108270109036506","","","0.71073","MoKα","","0.0382","0.0303","","","0.0786","0.0826","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017349","4.196","0.0001","10.6058","0.0003","13.0059","0.0004","90","","90.8559","0.0012","90","","578.72","0.03","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-5-hydroxy-2-pyridone","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0436","0.0342","","","0.0762","0.0813","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017350","27.1736","0.001","27.1736","0.001","6.9253","0.0002","90","","90","","90","","5113.7","0.3","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine chloroform 0.125-solvate","","- C5.125 H4.125 Cl1.375 N O2 -","- C5.125 H4.125 Cl1.375 N O2 -","- C164 H132 Cl44 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.1066","0.0517","","","0.1212","0.1458","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017351","27.1708","0.0004","27.1708","0.0004","6.9458","0.0001","90","","90","","90","","5127.75","0.13","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine carbon tetrachloride 0.125-solvate","","- C5.125 H4 Cl1.5 N O2 -","- C5.125 H4 Cl1.5 N O2 -","- C164 H128 Cl48 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","1.54178","CuKα","","0.0354","0.0339","","","0.0898","0.0916","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017352","27.1149","0.001","27.1149","0.001","6.9618","0.0002","90","","90","","90","","5118.4","0.3","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine 1,2 dichloroethane solvate","","- C5.25 H4.5 Cl1.25 N O2 -","- C5 H4 Cl N O2 -","- C160 H128 Cl32 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0779","0.051","","","0.1232","0.1331","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017353","27.2426","0.001","27.2426","0.001","6.9534","0.0003","90","","90","","90","","5160.5","0.3","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine 1,1,2,2-tetrachloroethane solvate","","- C5.25 H4.25 Cl1.5 N O2 -","- C5 H4 Cl N O2 -","- C160 H128 Cl32 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","1.54178","CuKα","","0.037","0.035","","","0.0919","0.093","","","","","","1.091","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017354","4.2481","0.0001","10.7075","0.0002","13.0362","0.0003","90","","91.2416","0.0011","90","","592.83","0.02","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-5-hydroxy-2-pyridone","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0661","0.04","","","0.0929","0.1058","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017355","27.4722","0.0002","27.4722","0.0002","7.0495","0.0001","90","","90","","90","","5320.41","0.09","293","0.2","293","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine 1,1,2,2-tetrachloroethane solvate","","- C5.25 H4.25 Cl1.5 N O2 -","- C5 H4 Cl N O2 -","- C160 H128 Cl32 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0805","0.0591","","","0.1835","0.1955","","","","","","1.145","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017356","5.5859","0.0006","8.9617","0.0006","25.333","0.003","90","","93.88","0.009","90","","1265.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","SF3113","Koşar, Başak; Albayrak, Çigdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol and (<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures","Acta Crystallographica Section C","2009","65","10","o517","o520","10.1107/S0108270109034350","","","0.71073","MoKα","","0.0697","0.0377","","","0.0869","0.0978","","","","","","0.984","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017357","22.446","0.003","7.2259","0.0007","16.727","0.002","90","","113.428","0.009","90","","2489.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C112 H96 Cl8 N8 O16 -","8","1","SF3113","Koşar, Başak; Albayrak, Çigdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol and (<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures","Acta Crystallographica Section C","2009","65","10","o517","o520","10.1107/S0108270109034350","","","0.71073","MoKα","","0.0667","0.0377","","","0.0909","0.1022","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017358","5.9983","0.0005","8.9198","0.0008","11.5785","0.001","75.711","0.001","84.66","0.001","86.038","0.001","597.04","0.09","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Lenalidomide","(<i>RS</i>)-3-(4-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","SF3114","Ravikumar, Krishnan; Sridhar, Balasubramanian","Lenalidomide, an antineoplastic drug, and its hemihydrate","Acta Crystallographica Section C","2009","65","10","o502","o505","10.1107/S0108270109033642","","","0.71073","MoKα","","0.0407","0.0393","","","0.1022","0.1037","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017359","8.4425","0.0007","22.2874","0.0019","13.6627","0.0012","90","","101.069","0.001","90","","2523","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenalidomide hemihydrate","(<i>RS</i>)-3-(4-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione hemihydrate","","- C13 H14 N3 O3.5 -","- C13 H14 N3 O3.5 -","- C104 H112 N24 O28 -","8","2","SF3114","Ravikumar, Krishnan; Sridhar, Balasubramanian","Lenalidomide, an antineoplastic drug, and its hemihydrate","Acta Crystallographica Section C","2009","65","10","o502","o505","10.1107/S0108270109033642","","","0.71073","MoKα","","0.04","0.0362","","","0.1003","0.1045","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017360","6.3601","0.0002","11.275","0.0005","13.8028","0.0005","105.972","0.002","91.253","0.003","98.539","0.002","938.99","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-[(<i>E</i>)-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5- yl)iminomethyl]quinolin-2(1<i>H</i>)-one","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C46 H44 N8 O2 -","2","1","SK3342","Castillo, Juan C.; Abonía, Rodrigo; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","3-[(<i>E</i>)-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)iminomethyl]quinolin-2(1<i>H</i>)-one: chains built by π-stacking of hydrogen-bonded <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2009","65","10","o495","o497","10.1107/S0108270109033861","","","0.71073","MoKα","","0.0899","0.0533","","","0.1313","0.1512","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017361","6.2142","0.0012","20.959","0.004","8.9443","0.0018","90","","95.24","0.03","90","","1160.1","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaqua(μ~3~-3-nitrophthalato)calcium(II)] monohydrate]","","- C8 H9 Ca N O9 -","- C8 H9 Ca N O9 -","- C32 H36 Ca4 N4 O36 -","4","1","SK3344","Guo, Ming-Lin","Poly[[diaqua(μ~3~-3-nitrophthalato)calcium(II)] monohydrate]","Acta Crystallographica Section C","2009","65","10","m395","m397","10.1107/S0108270109036130","","","0.71073","MoKα","","0.0362","0.034","","","0.0856","0.0874","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017362","10.168","0.001","10.168","0.001","10.168","0.001","90","","90","","90","","1051.25","0.18","293","","293","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Bismuth germanate","Tetrabismuth tris(germanate)","","- Bi4 Ge3 O12 -","- Bi4 Ge3 O12 -","- Bi16 Ge12 O48 -","4","0.0833333","SQ3206","Grzechnik, Andrzej","Bi~4~Ge~3~O~12~ at the onset of pressure-induced amorphization","Acta Crystallographica Section C","2009","65","10","i63","i65","10.1107/S0108270109030601","","","0.71069","MoKα","","0.0806","0.0564","","","0.054","0.056","","","","","","2.72","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017363","16.6086","0.0015","6.1031","0.0003","31.45","0.003","90","","101.495","0.006","90","","3124","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(μ~4~-benzene-1,2-dicarboxylato)(isonicotinato- κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]","","- C14 H12 Gd N O8 -","- C14 H12 Gd N O8 -","- C112 H96 Gd8 N8 O64 -","8","1","SQ3207","Chen, Li-Juan; Zhao, Zheng-Guo; Yang, Ming-Xing; Chen, Xiao-Hua","Poly[diaqua(μ~4~-benzene-1,2-dicarboxylato)(isonicotinato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]","Acta Crystallographica Section C","2009","65","10","m374","m376","10.1107/S0108270109031084","","","0.71073","MoKα","","0.0372","0.0331","","","0.0709","0.0734","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017364","17.719","0.006","8.159","0.003","7.326","0.002","90","","90","","90","","1059.1","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~- thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)]","","- C6 H54 Ag2 N5 S2 -","- C6 H5 Ag2 N5 S2 -","- C24 H20 Ag8 N20 S8 -","4","0.5","SQ3210","Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section C","2009","65","10","m377","m381","10.1107/S0108270109032934","","","0.71073","MoKα","","0.0435","0.0416","","","0.1033","0.1044","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017365","20.955","0.004","11.282","0.002","24.166","0.005","90","","90","","90","","5713.2","1.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~- thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","","- C7 H9 Ag N4 S -","- C7 H9 Ag N4 S -","- C168 H216 Ag24 N96 S24 -","24","3","SQ3210","Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section C","2009","65","10","m377","m381","10.1107/S0108270109032934","","","0.71073","MoKα","","0.0832","0.0537","","","0.1172","0.1247","","","","","","0.898","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017366","28.252","0.01","5.569","0.002","28.27","0.011","90","","113.12","0.019","90","","4091","3","100","1","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","nonactin","nonactin","","- C40 H64 O12 -","- C40 H64 O12 -","- C160 H256 O48 -","4","1","SQ3212","Guzei, Ilia A.; Wang, Cheng; Zhan, Yulian; Dolomanov, Oleg V.; Cheng, Yi-Qiang","Pseudomerohedrally twinned monoclinic structure of unfolded `free' nonactin: comparative analysis of its large conformational change upon encapsulation of alkali metal ions","Acta Crystallographica Section C","2009","65","10","o521","o524","10.1107/S0108270109033083","","","1.54178","Cu-Kα","","0.0437","0.043","","","0.1092","0.1102","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017367","26.939","0.002","5.1596","0.0004","11.6242","0.0012","90","","90.06","0.04","90","","1615.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[2,2'-iminodiethanaminium [hexa-μ~2~-oxido-tetraoxidoditellurium(IV)divanadium(V)] dihydrate]","","- C4 H19 N3 O12 Te2 V2 -","- C4 H19 N3 O12 Te2 V2 -","- C16 H76 N12 O48 Te8 V8 -","4","0.5","SQ3213","Huang, Xihe; Liu, Zhongqian; Huang, Changcang; Shen, Lijuan; Yan, Xiaobao","A new organically templated vanadium tellurite: (H~2~dien)[(VO~2~)(TeO~3~)]~2~·2H~2~O (dien is diethylenetriamine)","Acta Crystallographica Section C","2009","65","10","m385","m387","10.1107/S0108270109035495","","","0.71073","MoKα","","0.0282","0.0256","","","0.0668","0.068","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017368","12.2665","0.0011","4.8875","0.0004","8.3697","0.0008","90","","90","","90","","501.78","0.08","293","","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","europium iodide","europium(II) diiodide","","- Eu I2 -","- Eu I2 -","- Eu4 I8 -","4","0.5","SQ3214","Krings, Michael; Wessel, Michael; Dronskowski, Richard","EuI~2~, a low-temperature europium(II) iodide phase","Acta Crystallographica Section C","2009","65","10","i66","i68","10.1107/S0108270109038542","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017369","10.7614","0.0002","31.0703","0.0005","14.7131","0.0003","90","","110.948","0.002","90","","4594.32","0.16","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","lagoden","sodium 3β,16,18-trihydroxy-8,13-<i>epi</i>-9,13-epoxylabdan-15-oate dimethylformamide hemisolvate dihydrate","","- C21.5 H40.5 N0.5 Na O8.5 -","- C21.5 H40.5 N0.5 Na O8.5 -","- C172 H324 N4 Na8 O68 -","8","4","SU3037","Wicher, Barbara; Gdaniec, Maria; Dalimov, Davran N.; Zainutdinov, Umardjon N.","Lagoden dimethylformamide hemisolvate dihydrate: absolute configuration, dipolar interactions and~hydrogen-bonding interactions","Acta Crystallographica Section C","2009","65","10","m367","m370","10.1107/S010827010903354X","","","1.54184","CuKα","","0.0325","0.0322","","","0.0861","0.0863","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017370","17.82","0.002","8.5232","0.0012","9.1706","0.0012","90","","95.913","0.006","90","","1385.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Copper (II) Boron Oxyde","Nonacopper(II) bis(hexaoxodiborate) bisorthoborate","","- B6 Cu9 O18 -","- B6 Cu9 O18 -","- B24 Cu36 O72 -","4","1","BD3006","Kuratieva, Natalia V.; Mikhailova, Daria; Ehrenberg, Helmut","A new polymorph of Cu~3~B~2~O~6~","Acta Crystallographica Section C","2009","65","11","i85","i86","10.1107/S0108270109036865","","","0.71073","MoKα","","0.0548","0.0302","","","0.0585","0.063","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017371","12.0236","0.0013","12.4384","0.0014","14.0058","0.0015","82.98","0.001","73.411","0.001","74.536","0.001","1932.4","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","bis[μ-1,3-bis(pentafluorophenyl)propane-1,3-dionato]- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis{aqua[1,3-bis(pentafluorophenyl)propane-1,3-dionato- κ^2^<i>O</i>,<i>O</i>']nickel(II)} benzene tetrasolvate","","- C84 H32 F40 Ni2 O10 -","- C84 H32 F40 Ni2 O10 -","- C84 H32 F40 Ni2 O10 -","1","0.5","BG3106","Hori, Akiko; Mizutani, Masaya","A benzene-rich pseudopolymorph of bis[μ-1,3-bis(pentafluorophenyl)propane-1,3-dionato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis{aqua[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']nickel(II)} benzene tetrasolvate","Acta Crystallographica Section C","2009","65","11","m415","m417","10.1107/S0108270109037184","","","0.71073","MoKα","","0.0457","0.033","","","0.0809","0.0867","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017372","10.2861","0.0007","13.4443","0.0009","15.7523","0.0011","90","","90","","90","","2178.4","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidocuprate(II) dihydrate","","- C10 H12 Br8 Cu N2 O2 -","- C10 H12 Br8 Cu N2 O2 -","- C40 H48 Br32 Cu4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.0534","0.0328","","","0.0765","0.0875","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017373","10.6168","0.0007","13.5358","0.0009","15.6473","0.0011","90","","90","","90","","2248.6","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidocadmate(II) dihydrate","","- C10 H12 Br8 Cd N2 O2 -","- C10 H12 Br8 Cd N2 O2 -","- C40 H48 Br32 Cd4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.041","0.0271","","","0.0591","0.064","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017374","10.6328","0.0007","13.5144","0.0009","15.6141","0.0011","90","","90","","90","","2243.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidomercurate(II) dihydrate","","- C10 H12 Br8 Hg N2 O2 -","- C10 H12 Br8 Hg N2 O2 -","- C40 H48 Br32 Hg4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.0488","0.0311","","","0.063","0.0679","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017375","6.6019","0.0008","11.1195","0.0013","13.9076","0.0017","106.693","0.001","102.362","0.001","103.715","0.001","905.31","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thione","","- C18 H20 F2 N4 O2 S -","- C18 H20 F2 N4 O2 S -","- C36 H40 F4 N8 O4 S2 -","2","1","DN3126","Zhang, Zhenfeng; Zhang, Jinming; Zhang, Guisheng; Wang, Jange","Anomeric effect and hydrogen-bonded supramolecular motif in 5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thione","Acta Crystallographica Section C","2009","65","11","o558","o561","10.1107/S0108270109038487","","","0.71073","MoKα","","0.049","0.038","","","0.0909","0.0984","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017376","11.342","0.002","6.4613","0.001","15.269","0.004","90","","116.55","0.03","90","","1001","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cooper succinate 1,3-di-4-pyridylethane","poly[di-μ~4~-succinato-μ~2~-1,2-di-4-pyridylethane-dicopper(II)]","","- C10 H10 Cu N O4 -","- C10 H10 Cu N O4 -","- C40 H40 Cu4 N4 O16 -","4","1","FA3201","González Garmendia, M. J.; Nacianceno, V. San; Seco, J. M.; Zúñiga, F. J.","Copper(II) succinate complexes with 1,2-di-4-pyridylethane and 1,3-di-4-pyridylpropane","Acta Crystallographica Section C","2009","65","11","m436","m439","10.1107/S0108270109040566","","","0.71073","MoKα","","0.2113","0.0579","","","0.0466","0.0683","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017377","15.563","0.001","6.4472","0.0007","24.1","0.002","90","","116.913","0.009","90","","2156.2","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cooper succinate 1,3-di-4-pyridylpropane)","poly[di-μ~4~-succinato-μ~2~-1,3-di-4-pyridylpropane-dicopper(II)]","","- C21 H22 Cu2 N2 O8 -","- C21 H22 Cu2 N2 O8 -","- C84 H88 Cu8 N8 O32 -","4","1","FA3201","González Garmendia, M. J.; Nacianceno, V. San; Seco, J. M.; Zúñiga, F. J.","Copper(II) succinate complexes with 1,2-di-4-pyridylethane and 1,3-di-4-pyridylpropane","Acta Crystallographica Section C","2009","65","11","m436","m439","10.1107/S0108270109040566","","","0.71069","MoKα","","0.1535","0.0559","","","0.0506","0.0536","","","","","","1.3","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017378","14.2141","0.0002","12.0446","0.0001","5.05009","0.00006","90","","96.5811","0.0008","90","","858.894","0.017","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ethenzamide","2-ethoxybenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","FA3207","Pagola, Silvina; Stephens, Peter W.","Herringbone array of hydrogen-bonded ribbons in 2-ethoxybenzamide from high-resolution X-ray powder diffraction","Acta Crystallographica Section C","2009","65","11","o583","o586","10.1107/S0108270109040803","powder diffraction","","0.69847","synchrotron","","","","","","","","","","1.45","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017379","8.6441","0.0002","11.1173","0.0003","13.3944","0.0003","101.234","0.002","107.521","0.003","106.587","0.002","1119.51","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetra-μ-but-2-enoato-bis[diaqua(μ~2~-but-2-enoato)dysprosium(III)]‒2,6- diaminopurine (1/2)","","- C34 H50 Dy2 N12 O16 -","- C34 H50 Dy2 N12 O16 -","- C34 H50 Dy2 N12 O16 -","1","0.5","FG3130","Atria, Ana María; Astete, Alan; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous crotonatolanthanide complexes: tetra-μ-but-2-enoato-bis[diaqua(but-2-enoato)Ln]‒2,6-diaminopurine (1/2) (Ln = Dy and Ho)","Acta Crystallographica Section C","2009","65","11","m411","m414","10.1107/S0108270109037512","","","0.71073","MoKα","","0.0202","0.0192","","","0.0464","0.047","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017380","8.644","0.002","11.141","0.003","13.412","0.003","101.36","0.003","107.537","0.004","106.518","0.004","1122.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetra-μ-but-2-enoato-bis[diaqua(μ~2~-but-2-enoato)holmium(III)]‒2,6- diaminopurine (1/2)","","- C34 H50 Ho2 N12 O16 -","- C34 H50 Ho2 N12 O16 -","- C34 H50 Ho2 N12 O16 -","1","0.5","FG3130","Atria, Ana María; Astete, Alan; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous crotonatolanthanide complexes: tetra-μ-but-2-enoato-bis[diaqua(but-2-enoato)Ln]‒2,6-diaminopurine (1/2) (Ln = Dy and Ho)","Acta Crystallographica Section C","2009","65","11","m411","m414","10.1107/S0108270109037512","","","0.71073","MoKα","","0.0311","0.029","","","0.0709","0.0717","","","","","","1.349","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017381","24.624","0.003","6.6934","0.0009","9.403","0.0013","90","","102.088","0.003","90","","1515.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cyclohexanecarboxamide","","- C7 H13 N O -","- C7 H13 N O -","- C56 H104 N8 O8 -","8","1","FG3132","Zipp, Caitlin F.; Fernandes, Manuel A.; Michael, Joseph P.; Winks, Susan","Cyclohexanecarboxamide","Acta Crystallographica Section C","2009","65","11","o553","o554","10.1107/S0108270109036440","","","0.71073","MoKα","","0.072","0.0557","","","0.1334","0.1431","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017382","7.0455","0.0006","19.5294","0.0017","8.3412","0.0011","90","","107.446","0.01","90","","1094.9","0.2","293","","293","","","","","","","","Kutna Hora polymetallic deposit, Czech Republic","5","P 1 21/c 1","-P 2ybc","14","","Silver lead tris(dibismuth/antimony) hexasulfide","Gustavite","- Ag Bi1.998 Pb S6 Sb0.911 -","- Ag Bi1.998 Pb S6 Sb0.911 -","- Ag4 Bi7.992 Pb4 S24 Sb3.644 -","4","1","FN3031","Pažout, Richard; Dušek, Michal","Natural monoclinic AgPb(Bi~2~Sb)~3~S~6~, an Sb-rich gustavite","Acta Crystallographica Section C","2009","65","11","i77","i80","10.1107/S0108270109040293","","","0.71073","MoKα","","0.1129","0.0588","","","0.0547","0.0596","","","","","","1.98","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:06",""
"2017383","25.702","0.005","4.4419","0.0004","18.718","0.004","90","","129.14","0.03","90","","1657.4","0.9","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexane-1,6-diaminium chloride chloroacetate - chloroacetic acid","","- C10 H23 Cl3 N2 O4 -","- C10 H23 Cl3 N2 O4 -","- C40 H92 Cl12 N8 O16 -","4","0.5","FN3035","Paul, Agnieszka; Kubicki, Maciej","Hexane-1,6-diaminium chloride [hydrogen bis(chloroacetate)]","Acta Crystallographica Section C","2009","65","11","o555","o557","10.1107/S0108270109035835","","","0.71073","MoKα","","0.04","0.0291","","","0.0602","0.0622","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017384","10.2731","0.0002","8.5637","0.0002","25.6968","0.0006","90","","93.218","0.001","90","","2257.13","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","</i>rac</i>-5-diphenylacetyl-2,3,4,5-tetrahydro-2,2,4-trimethyl- 1,5-benzothiazepine","</i>rac</i>-5-diphenylacetyl-2,3,4,5-tetrahydro-2,2,4-trimethyl- 1,5-benzothiazepine","","- C26 H27 N O S -","- C26 H27 N O S -","- C104 H108 N4 O4 S4 -","4","1","GD3302","Kanagasabapathy, Thanikasalam; Krishnaswamy, Panchanatheswaran; Ramasubbu, Jeyaraman","<i>rac</i>-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and <i>rac</i>-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine","Acta Crystallographica Section C","2009","65","11","o579","o582","10.1107/S0108270109036646","","","0.71073","MoKα","","0.066","0.042","","","0.1019","0.1165","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017385","9.6038","0.0008","9.9485","0.0008","13.6818","0.0011","90","","107.713","0.002","90","","1245.23","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","</i>rac</i>-5-formyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","</i>rac</i>-5-formyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C13 H17 N O S -","- C13 H17 N O S -","- C52 H68 N4 O4 S4 -","4","1","GD3302","Kanagasabapathy, Thanikasalam; Krishnaswamy, Panchanatheswaran; Ramasubbu, Jeyaraman","<i>rac</i>-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and <i>rac</i>-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine","Acta Crystallographica Section C","2009","65","11","o579","o582","10.1107/S0108270109036646","","","0.71073","MoKα","","0.0637","0.0414","","","0.1101","0.1238","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017386","5.8366","0.0001","15.3018","0.0004","8.1078","0.0002","90","","91.444","0.001","90","","723.88","0.03","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0307","0.0296","","","0.0759","0.0765","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017387","8.5024","0.0004","11.948","0.0005","17.6485","0.0007","90","","90","","90","","1792.85","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}- 2-methylpropan-2-ol","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0436","0.0353","","","0.0807","0.0833","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017388","9.3438","0.0002","15.9896","0.0004","10.9479","0.0003","90","","114.441","0.001","90","","1489.08","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2-hydroxyethyl)(methyl)amino]-1,1-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0682","0.0435","","","0.0905","0.0972","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017389","8.6781","0.0005","12.8084","0.0007","14.5243","0.0008","90","","90","","90","","1614.41","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2-hydroxy-2-methylpropyl)(1-phenylethyl)amino]- 2-methylpropan-2-ol","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0563","0.0414","","","0.0905","0.0954","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017390","8.9681","0.0008","12.5151","0.0011","16.396","0.0014","90","","90","","90","","1840.2","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2-Hydroxy-2-phenylethyl)(1-phenylethyl)amino]- 2-methylpropan-2-ol","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0519","0.0402","","","0.0833","0.0864","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017391","9.5577","0.0009","9.9481","0.0009","15.9403","0.0015","90","","100.136","0.002","90","","1492","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0475","0.0376","","","0.088","0.0922","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017392","9.5879","0.0005","10.0655","0.0006","16.1252","0.0009","90","","99.034","0.001","90","","1536.89","0.15","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0708","0.0436","","","0.1042","0.113","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017393","4.8894","0.001","12.404","0.003","13.096","0.003","90","","90","","90","","794.2","0.3","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-amino-1-naphthol","5-amino-1-naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","GD3309","Rozycka-Sokolowska, Ewa; Marciniak, Bernard","5-Amino-1-naphthol: two-dimensional sheets built up from <i>R</i>~4~^4^(18) rings formed by O—H···N, N—H···O and π‒π interactions","Acta Crystallographica Section C","2009","65","11","o565","o568","10.1107/S0108270109038694","","","0.71073","MoKα","","0.1429","0.0509","","","0.0469","0.0591","","","","","","0.893","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017394","9.3507","0.0007","14.6003","0.0011","14.3335","0.0011","90","","90","","90","","1956.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Yb(THF)~3~I~3~","triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III)","","- C12 H24 I3 O3 Yb -","- C12 H24 I3 O3 Yb -","- C48 H96 I12 O12 Yb4 -","4","0.5","GG3217","Emge, Thomas J.; Kornienko, A.; Brennan, John G.","<i>Trans</i> influence in a <i>mer</i>-octahedral triiodidolanthanide: triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III)","Acta Crystallographica Section C","2009","65","11","m422","m425","10.1107/S0108270109038268","","","0.71073","MoKα","","0.0465","0.029","","","0.0622","0.0663","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017395","12.87","0.004","13.548","0.004","5.8772","0.0018","90","","116.729","0.005","90","","915.3","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[(μ~3~-chloro)-(μ~2~-4,4'-bipyridine-κ^2^N,N')silver(I)]","","- C10 H8 Ag Cl N2 -","- C10 H8 Ag Cl N2 -","- C40 H32 Ag4 Cl4 N8 -","4","0.5","KU3015","Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","<i>catena</i>-Poly[silver(I)-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ~3~-chlorido]: self-assembly of a two-dimensional bilayer silver(I) coordination polymer from AgCl and a bipodal spacer","Acta Crystallographica Section C","2009","65","11","m440","m442","10.1107/S0108270109042176","","","0.71073","MoKα","","0.0376","0.0365","","","0.0896","0.0902","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017396","7.1444","0.0003","9.6123","0.0005","11.4228","0.0005","90.46","0.001","94.924","0.001","108.783","0.002","739.4","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[bis[silver(I)-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>'] naphthalene-2,6-dicarboxylate tetrahydrate]","","- C32 H30 Ag2 N4 O8 -","- C32 H30 Ag2 N4 O8 -","- C32 H30 Ag2 N4 O8 -","1","0.5","LG3022","Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","<i>catena</i>-Poly[bis[silver(I)-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] naphthalene-2,6-dicarboxylate tetrahydrate]: self-assembly of a supramolecular framework <i>via</i> coordination bonds and supramolecular interactions","Acta Crystallographica Section C","2009","65","11","m418","m421","10.1107/S0108270109036488","","","0.71073","MoKα","","0.0306","0.029","","","0.0768","0.0781","","","","","","1.008","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2017397","7.5068","0.0016","11.303","0.003","20.444","0.004","90","","90.041","0.005","90","","1734.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","chloroferrocene","1-chloroferrocene","","- C10 H9 Cl Fe -","- C10 H9 Cl Fe -","- C80 H72 Cl8 Fe8 -","8","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0645","0.0472","","","0.1056","0.1144","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017398","7.5222","0.0014","11.613","0.002","20.44","0.004","90","","90.05","0.003","90","","1785.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bromoferrocene","1-bromoferrocene","","- C10 H9 Br Fe -","- C10 H9 Br Fe -","- C80 H72 Br8 Fe8 -","8","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0391","0.0312","","","0.0749","0.0784","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017399","7.6372","0.0019","11.371","0.003","11.694","0.003","72.22","0.003","80.196","0.003","79.577","0.003","943.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Iodoferrocene","1-Iodoferrocene","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0323","0.0298","","","0.0813","0.0829","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017400","6.2918","0.001","9.7229","0.0015","15.146","0.002","90","","93.437","0.002","90","","924.9","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","iodoferrocene","1-Iodoferrocene","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0183","0.0178","","","0.0406","0.0408","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017401","15.1204","0.0009","12.2337","0.0007","23.6514","0.0016","90","","105.912","0.002","90","","4207.4","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylpyridyl)ethane-1,2- diamine]manganese(III,IV)} tris(perchlorate) hexahydrate","","- C28 H48 Cl3 Mn2 N8 O20 -","- C28 H48 Cl3 Mn2 N8 O20 -","- C112 H192 Cl12 Mn8 N32 O80 -","4","1","SF3119","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate: clarification of an order‒disorder phase transition","Acta Crystallographica Section C","2009","65","11","m447","m450","10.1107/S0108270109042127","","","0.71073","MoKα","","0.0729","0.0507","","","0.1466","0.1583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017402","15.4488","0.0007","12.2792","0.0005","23.7512","0.001","90","","106.852","0.002","90","","4312.1","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylpyridyl)ethane-1,2- diamine]manganese(III,IV)} tris(perchlorate) hexahydrate","","- C28 H48 Cl3 Mn2 N8 O20 -","- C28 H46 Cl3 Mn2 N8 O19 -","- C112 H184 Cl12 Mn8 N32 O76 -","4","0.5","SF3119","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate: clarification of an order‒disorder phase transition","Acta Crystallographica Section C","2009","65","11","m447","m450","10.1107/S0108270109042127","","","0.71073","MoKα","","0.0866","0.0672","","","0.2196","0.2347","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017403","12.4467","0.0012","9.1849","0.0008","8.5635","0.0008","90","","107.065","0.008","90","","935.89","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5-fluorocytosine dimethyl sulfoxide solvate","4-amino-5-fluoropyrimidin-2(1<i>H</i>)-one dimethyl sulfoxide solvate","","- C6 H10 F N3 O2 S -","- C6 H10 F N3 O2 S -","- C24 H40 F4 N12 O8 S4 -","4","1","SK3347","Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst","New pseudopolymorphs of 5-fluorocytosine","Acta Crystallographica Section C","2009","65","11","o574","o578","10.1107/S010827010903950X","","","0.71073","MoKα","","0.0546","0.0391","","","0.0931","0.0995","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017404","7.7247","0.0012","8.284","0.0013","13.238","0.002","90.204","0.013","104.336","0.012","107.774","0.012","778.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-fluorocytosine dimethylacetamide hemisolvate","","- C6 H8.5 F N3.5 O1.5 -","- C6 H8.5 F N3.5 O1.5 -","- C24 H34 F4 N14 O6 -","4","2","SK3347","Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst","New pseudopolymorphs of 5-fluorocytosine","Acta Crystallographica Section C","2009","65","11","o574","o578","10.1107/S010827010903950X","","","0.71073","MoKα","","0.1218","0.0688","","","0.1685","0.1993","","","","","","0.937","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017405","14.7039","0.0013","12.4546","0.001","13.7921","0.0014","90","","115.474","0.007","90","","2280.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-fluorocytosine hemihydrate","","- C4 H5 F N3 O1.5 -","- C4 H5 F N3 O1.5 -","- C64 H80 F16 N48 O24 -","16","4","SK3347","Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst","New pseudopolymorphs of 5-fluorocytosine","Acta Crystallographica Section C","2009","65","11","o574","o578","10.1107/S010827010903950X","","","0.71073","MoKα","","0.0535","0.0375","","","0.074","0.0779","","","","","","0.875","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017406","7.9734","0.0018","8.452","0.002","8.9099","0.0002","75.158","0.009","84.727","0.007","64.436","0.016","523.48","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1- yl)pyrimidin-4(3<i>H</i>)-one monohydrate","","- C9 H15 N5 O3 -","- C9 H15 N5 O3 -","- C18 H30 N10 O6 -","2","1","SK3349","Orozco, Fabían; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded ribbon in 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3<i>H</i>)-one monohydrate and hydrogen-bonded sheets in 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2009","65","11","o549","o552","10.1107/S0108270109039018","","","0.71073","MoKα","","0.0648","0.0461","","","0.107","0.116","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017407","11.8125","0.0006","7.1372","0.0007","11.8588","0.0019","90","","107.91","0.004","90","","951.34","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one monohydrate","","- C7 H13 N5 O3 -","- C7 H13 N5 O3 -","- C28 H52 N20 O12 -","4","1","SK3349","Orozco, Fabían; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded ribbon in 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3<i>H</i>)-one monohydrate and hydrogen-bonded sheets in 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2009","65","11","o549","o552","10.1107/S0108270109039018","","","0.71073","MoKα","","0.0821","0.0462","","","0.0949","0.1087","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017408","10.7948","0.0002","10.9672","0.0002","18.5874","0.0003","90","","101.105","0.001","90","","2159.34","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichlorido{4,4'-dimethyl-2,2'-[cyclohexane-1,2- diylbis(sulfanediyl)]diphenolato}titanium(IV)","","- C20 H22 Cl2 O2 S2 Ti -","- C20 H22 Cl2 O2 S2 Ti -","- C80 H88 Cl8 O8 S8 Ti4 -","4","0.5","SK3350","Dols, Thomas S.; Spaniol, Thomas P.; Okuda, Jun","Titanium complexes with sulfur-linked bis(phenolate) ligands","Acta Crystallographica Section C","2009","65","11","m443","m446","10.1107/S0108270109042280","","","0.71073","MoKα","","0.0625","0.0423","","","0.1035","0.1122","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017409","9.4627","0.0007","16.8985","0.0004","12.081","0.0011","90","","104.195","0.006","90","","1872.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichlorido{2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV)","","- C18 H18 Cl2 O2 S2 Ti -","- C18 H18 Cl2 O2 S2 Ti -","- C72 H72 Cl8 O8 S8 Ti4 -","4","1","SK3350","Dols, Thomas S.; Spaniol, Thomas P.; Okuda, Jun","Titanium complexes with sulfur-linked bis(phenolate) ligands","Acta Crystallographica Section C","2009","65","11","m443","m446","10.1107/S0108270109042280","","","0.71073","MoKα","","0.0686","0.049","","","0.0916","0.0979","","","","","","1.239","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017410","9.7622","0.0003","16.3667","0.0004","14.5713","0.0004","90","","106.899","0.001","90","","2227.6","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichlorido{2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV) toluene hemisolvate","","- C21.5 H22 Cl2 O2 S2 Ti -","- C21.5 H22 Cl2 O2 S2 Ti -","- C86 H88 Cl8 O8 S8 Ti4 -","4","1","SK3350","Dols, Thomas S.; Spaniol, Thomas P.; Okuda, Jun","Titanium complexes with sulfur-linked bis(phenolate) ligands","Acta Crystallographica Section C","2009","65","11","m443","m446","10.1107/S0108270109042280","","","0.71073","MoKα","","0.0673","0.0349","","","0.0774","0.0874","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017411","12.495","0.0013","6.4978","0.0007","9.9943","0.0011","90","","106.362","0.001","90","","778.57","0.14","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sodium-magnesium decahydrate","disodium magnesium disulfate decahydrate","","- H20 Mg Na2 O18 S2 -","- H20 Mg Na2 O18 S2 -","- H40 Mg2 Na4 O36 S4 -","2","0.5","SQ3201","Leduc, Evelyne M. S.; Peterson, Ronald C.; Wang, Ruiyao","Sodium magnesium sulfate decahydrate, Na~2~Mg(SO~4~)~2~·10H~2~O, a new sulfate salt","Acta Crystallographica Section C","2009","65","11","i81","i84","10.1107/S0108270109028881","","","0.71073","MoKα","","0.032","0.0266","","","0.0629","0.0654","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017412","7.2696","0.0005","10.7776","0.0007","12.0288","0.0008","90","","90","","90","","942.44","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Iodocymantrene","Tricarbonyl(η^5^-1-iodocyclopentadienyl)manganese(I)","","- C8 H4 I Mn O3 -","- C8 H4 I Mn O3 -","- C32 H16 I4 Mn4 O12 -","4","1","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0221","0.02","","","0.0466","0.0476","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017413","6.4096","0.001","10.9991","0.0016","11.9798","0.0018","90","","100.507","0.002","90","","830.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(cymantrenyl)acetylene","[μ-1,2(η^5^)-Acetylenedicyclopentadienyl]bis[tricarbonylmanganese(I)]","","- C18 H8 Mn2 O6 -","- C18 H8 Mn2 O6 -","- C36 H16 Mn4 O12 -","2","0.5","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0338","0.0278","","","0.0684","0.0709","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017414","7.4117","0.0014","10.922","0.002","11.987","0.002","90","","90","","90","","970.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl(η^5^-1-iodocyclopentadienyl)rhenium(I)","","- C8 H4 I O3 Re -","- C8 H4 I O3 Re -","- C32 H16 I4 O12 Re4 -","4","1","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0194","0.0184","","","0.0408","0.0411","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017415","6.2633","0.001","11.7262","0.0018","11.8471","0.0018","90","","98.206","0.002","90","","861.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1,2(η^5^)-Acetylenedicyclopentadienyl]bis[tricarbonylrhenium(I)]","","- C18 H8 O6 Re2 -","- C18 H8 O6 Re2 -","- C36 H16 O12 Re4 -","2","0.5","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0266","0.0213","","","0.0489","0.0511","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017416","6.9028","0.0014","27.756","0.006","12.624","0.004","90","","120.21","0.02","90","","2090.2","1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethylammonium 2-{4-[1-(4-carboxymethoxyphenyl)-1-methylethyl]phenoxy}acetate","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","SU3040","Zheng, Ze-Bao; Zhao, Xue; Li, Ji-Kun; Han, Yin-Feng; Ji, Ning-Ning","1:1 Adducts of 2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine","Acta Crystallographica Section C","2009","65","11","o569","o573","10.1107/S0108270109040761","","","0.71073","MoKα","","0.0979","0.0488","","","0.1105","0.1344","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017417","8.8698","0.0015","14.673","0.002","20.087","0.003","96.749","0.002","94.18","0.003","99.751","0.004","2547.1","0.7","295","","295","","","","","","","","","4","P -1","-P 1","2","","2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid‒4,4'-bipyridine (1/1)","","- C29 H28 N2 O6 -","- C29 H28 N2 O6 -","- C116 H112 N8 O24 -","4","2","SU3040","Zheng, Ze-Bao; Zhao, Xue; Li, Ji-Kun; Han, Yin-Feng; Ji, Ning-Ning","1:1 Adducts of 2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine","Acta Crystallographica Section C","2009","65","11","o569","o573","10.1107/S0108270109040761","","","0.71073","MoKα","","0.1551","0.07","","","0.1799","0.2353","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017418","10.4545","0.0012","10.859","0.003","32.168","0.005","90","","91.796","0.01","90","","3650.1","1.2","296","1","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl ketone triperoxide","3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxacyclononane","","- C15 H30 O6 -","- C15 H30 O6 -","- C120 H240 O48 -","8","2","UK3010","Cerna, Jorge; Bernès, Sylvain; Cañizo, Adriana; Eyler, Nora","3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxacyclononane at 296 K","Acta Crystallographica Section C","2009","65","11","o562","o564","10.1107/S0108270109039833","","","0.71073","MoKα","","0.0646","0.0395","","","0.0978","0.1119","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017419","14.676","0.002","7.435","0.002","7.574","0.002","90","","111.79","0.02","90","","767.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","Cytosinium hydrogen sulfate","Cytosinium hydrogen sulfate","","- C4 H7 N3 O5 S -","- C4 H7 N3 O5 S -","- C16 H28 N12 O20 S4 -","4","1","BD3008","Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane","Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate","Acta Crystallographica Section C","2009","65","12","o607","o611","10.1107/S0108270109043765","","","0.71073","MoKα","","0.0501","0.0377","","","0.0838","0.0914","","","","","","0.912","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017420","17.194","0.002","4.94","0.001","8.901","0.001","90","","90","","90","","756","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","cytosinium perchlorate","cytosinium perchlorate","","- C4 H6 Cl N3 O5 -","- C4 H6 Cl N3 O5 -","- C16 H24 Cl4 N12 O20 -","4","1","BD3008","Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane","Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate","Acta Crystallographica Section C","2009","65","12","o607","o611","10.1107/S0108270109043765","","","0.71073","MoKα","","0.0196","0.019","","","0.0539","0.0551","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017421","9.9357","0.0003","12.4348","0.0005","21.6047","0.0003","90","","95.067","0.004","90","","2658.8","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~4~-benzene-1,2-dicarboxylato)di-μ~3~-isonicotinato- dilanthanum(III)]","","- C28 H16 La2 N2 O12 -","- C28 H16 La2 N2 O12 -","- C112 H64 La8 N8 O48 -","4","1","BG3111","Wang, Guo-Ming; Xue, Shu-Yun; Li, Hui; Liu, Hui-Luan","Poly[bis(μ~4~-benzene-1,2-dicarboxylato)di-μ~3~-isonicotinato-dilanthanum(III)]","Acta Crystallographica Section C","2009","65","12","m469","m471","10.1107/S0108270109043856","","","0.71073","MoKα","","0.0453","0.0359","","","0.0786","0.0823","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017422","3.6087","0.0001","15.4328","0.0005","12.7326","0.0003","90","","97.566","0.002","90","","702.93","0.03","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[bis(μ~2~-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^)(μ~2~-nitrato-\ κ^2^<i>O</i>:<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')disilver(I)]","","- C8 H10 Ag2 N8 O6 -","- C8 H10 Ag2 N8 O6 -","- C16 H20 Ag4 N16 O12 -","2","1","DN3128","Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Poly[bis(μ~2~-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^)(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')disilver(I)]: an achiral two-dimensional coordination polymer forming chiral crystals","Acta Crystallographica Section C","2009","65","12","m478","m480","10.1107/S0108270109045806","","","0.71073","MoKα","","0.0247","0.0227","","","0.0495","0.0498","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017423","15.893","0.003","44.48","0.005","7.3582","0.001","90","","90","","90","","5201.7","1.3","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","dichlorido[4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)benzoic acid-κ<i>N</i>^1^]zinc(II) dihydrate","","- C22 H26 Cl2 N6 O6 Zn -","- C22 H26 Cl2 N6 O6 Zn -","- C176 H208 Cl16 N48 O48 Zn8 -","8","0.5","EG3026","Lincke, Jörg; Lässig, Daniel; Krautscheid, Harald","Halogeno(triazolyl)zinc complexes as molecular building blocks for metal‒organic frameworks","Acta Crystallographica Section C","2009","65","12","m488","m490","10.1107/S010827010904668X","","","0.71073","MoKα","","","0.0248","","","","0.0678","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017424","16.1158","0.0012","44.425","0.004","7.3861","0.0005","90","","90","","90","","5288","0.7","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","dibromido[4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)benzoic acid-κ<i>N</i>^1^]zinc(II) dihydrate","","- C22 H26 Br2 N6 O6 Zn -","- C22 H26 Br2 N6 O6 Zn -","- C176 H208 Br16 N48 O48 Zn8 -","8","0.5","EG3026","Lincke, Jörg; Lässig, Daniel; Krautscheid, Harald","Halogeno(triazolyl)zinc complexes as molecular building blocks for metal‒organic frameworks","Acta Crystallographica Section C","2009","65","12","m488","m490","10.1107/S010827010904668X","","","0.71073","MoKα","","","0.0333","","","","0.09","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017425","6.334","0.0007","19.247","0.003","8.4472","0.0012","90","","110.562","0.013","90","","964.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Diamino-2-morpholino-5-nitrosopyrimidine","","- C8 H12 N6 O2 -","- C8 H12 N6 O2 -","- C32 H48 N24 O8 -","4","1","EG3030","García, Angélica; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","4,6-Diamino-2-morpholino-5-nitrosopyrimidine: a polarized molecular structure within hydrogen-bonded sheets","Acta Crystallographica Section C","2009","65","12","o598","o600","10.1107/S0108270109041122","","","0.71073","MoKα","","0.1181","0.0589","","","0.1378","0.1736","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017426","5.9632","0.0002","8.1157","0.0002","10.9434","0.0003","105.007","0.002","101.213","0.002","105.935","0.002","471.36","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetrasodium dihydroxidotetraoxidoneptunate(VII) hydroxide dihydrate","","- H7 Na4 Np O9 -","- H7 Na4 Np O9 -","- H14 Na8 Np2 O18 -","2","1","FA3208","Grigoriev, Mikhail S.; Krot, Nikolai N.","Novel heptavalent actinide compounds: tetrasodium dihydroxidotetraoxidoneptunate(VII) hydroxide dihydrate and its plutonium analogue","Acta Crystallographica Section C","2009","65","12","i91","i93","10.1107/S0108270109044394","","","0.71073","MoKα","","0.0256","0.0215","","","0.0493","0.0541","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017427","5.9177","0.0002","8.0736","0.0002","10.8696","0.0003","105.007","0.002","101.224","0.002","105.76","0.002","462.72","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetrasodium dihydroxidotetraoxidoplutonate(VII) hydroxide dihydrate","","- H7 Na4 O9 Pu -","- H7 Na4 O9 Pu -","- H14 Na8 O18 Pu2 -","2","1","FA3208","Grigoriev, Mikhail S.; Krot, Nikolai N.","Novel heptavalent actinide compounds: tetrasodium dihydroxidotetraoxidoneptunate(VII) hydroxide dihydrate and its plutonium analogue","Acta Crystallographica Section C","2009","65","12","i91","i93","10.1107/S0108270109044394","","","0.71073","MoKα","","0.0418","0.0281","","","0.0368","0.0386","","","","","","0.855","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017428","10.5598","0.001","15.4984","0.0015","19.4769","0.0019","83.508","0.001","75.251","0.001","84.088","0.001","3053.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η)-1-methylthianthrene]iron(II) hexafluoridophosphate acetone 0.33-solvate","","- C19 H17 F6 Fe O0.33 P S2 -","- C57 H51 F18 Fe3 O P3 S6 -","- C114 H102 F36 Fe6 O2 P6 S12 -","2","1","FN3032","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η)-1-methylthianthrene]iron(II) hexafluoridophosphate acetone 0.33-solvate","Acta Crystallographica Section C","2009","65","12","m466","m468","10.1107/S0108270109035847","","","0.71073","MoKα","","0.117","0.0629","","","0.1497","0.1801","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017429","10.001","0.002","12.345","0.003","20.513","0.004","88.49","0.03","87.32","0.03","83.62","0.03","2513.6","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2<i>S</i>)-2'-ethoxy-1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline- 2,3'-3'<i>H</i>-naphtho[2,1-<i>b</i>][1,4]oxazine]","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","2","FN3034","Lin, Jian; Chai, Wenxiang; Song, Li; Qin, Laishun; Shu, Kangying","An organic photochromic compound: (2<i>S</i>)-2'-ethoxy-1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-3'<i>H</i>-naphtho[2,1-<i>b</i>][1,4]oxazine]","Acta Crystallographica Section C","2009","65","12","o621","o623","10.1107/S0108270109043339","","","0.71075","mokα","","0.1368","0.0525","","","0.1367","0.1889","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017430","15.179","0.007","13.746","0.006","36.18","0.016","90","","101.564","0.007","90","","7396","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-triisopropylsilanethiolato)-\ 1:2κ^4^<i>S</i>:<i>S</i>;2:3κ^4^<i>S</i>:<i>S</i>-\ bis(triisopropylsilanethiolato)-1κ<i>S</i>,3κ<i>S</i>-trizinc(II)","","- C54 H126 S6 Si6 Zn3 -","- C54 H126 S6 Si6 Zn3 -","- C216 H504 S24 Si24 Zn12 -","4","1","FN3038","Medina-Ramírez, Iliana E.; Fink, Mark J.; Donahue, James P.","Tetrakis(μ-triisopropylsilanethiolato)-1:2κ^4^<i>S</i>:<i>S</i>;2:3κ^4^<i>S</i>:<i>S</i>-bis(triisopropylsilanethiolato)-1κ<i>S</i>,3κ<i>S</i>-trizinc(II)","Acta Crystallographica Section C","2009","65","12","m475","m477","10.1107/S0108270109045570","","","0.71073","MoKα","","0.0587","0.0518","","","0.1093","0.1111","","","","","","1.282","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017431","13.467","0.002","13.467","0.002","13.467","0.002","90","","90","","90","","2442.4","0.6","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Borophosphate hydroxide","Potassium pentanickel hexaborophosphate tridecahydroxide","","- B12 H26 K2 Ni10 O72 P12 -","- B12 H26 K2 Ni10 O72 P12 -","- B24 H52.0001 K4 Ni20 O144 P24 -","2","0.0833333","FN3039","Yakubovich, Olga V.; Steele, Ian M.; Massa, Werner; Dimitrova, Olga V.","12-Membered borophosphate rings in KNi~5~[P~6~B~6~O~23~(OH)~13~]","Acta Crystallographica Section C","2009","65","12","i94","i98","10.1107/S0108270109044217","","","0.71073","MoKα","","0.0492","0.0324","","","0.0574","0.0606","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017432","12.0797","0.0017","12.0797","0.0017","28.326","0.006","90","","90","","120","","3579.5","1","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(7<i>S</i>)-<i>N</i>-[4-(3-thienyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3- carbonyl]-2,10-camphorsultam tetrahydrofuran hemisolvate","","- C26 H33 N O3.5 S2 -","- C26 H33 N O3.5 S2 -","- C156 H198 N6 O21 S12 -","6","1","GA3134","Goodreid, Jordan D.; Jennings, Michael C.; Tam, William","Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes","Acta Crystallographica Section C","2009","65","12","o649","o652","10.1107/S0108270109045284","","","0.71073","MoKα","","0.0595","0.0378","","","0.0767","0.0841","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017433","11.687","0.002","12.849","0.003","31.547","0.006","90","","90","","90","","4737.3","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7<i>S</i>)-<i>N</i>-[4-(4-tolyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl]- 2,10-camphorsultam","","- C27 H33 N O3 S -","- C27 H33 N O3 S -","- C216 H264 N8 O24 S8 -","8","2","GA3134","Goodreid, Jordan D.; Jennings, Michael C.; Tam, William","Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes","Acta Crystallographica Section C","2009","65","12","o649","o652","10.1107/S0108270109045284","","","0.71073","MoKα","","0.063","0.0414","","","0.0872","0.0955","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017434","15.8669","0.0003","7.5765","0.0001","16.4065","0.0002","90","","97.9769","0.0013","90","","1953.23","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","","- C28 H18 N2 Ni O2 -","- C28 H18 N2 Ni O2 -","- C112 H72 N8 Ni4 O8 -","4","1","GD3313","Blagus, Anita; Kaitner, Branko","Interactions between dimers of {1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2009","65","12","m455","m458","10.1107/S0108270109044503","","","0.71069","MoKα","","0.0481","0.0388","","","0.09","0.0942","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017435","6.9614","0.0003","18.2529","0.0007","7.4731","0.0003","90","","116.84","0.002","90","","847.28","0.06","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Benzofuran-2,3-dicarboxylic acid","","- C10 H6 O5 -","- C10 H6 O5 -","- C40 H24 O20 -","4","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.0659","0.0488","","","0.1301","0.1407","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017436","3.7576","0.0001","18.3933","0.0006","17.9788","0.0007","90","","93.5522","0.0011","90","","1240.21","0.07","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridinium 2-carboxylato-1-benzofuran-3-carboxylic acid","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.1111","0.0516","","","0.1118","0.1387","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017437","5.3881","0.0002","8.3227","0.0004","18.6514","0.0011","90","","90.3794","0.0018","90","","836.38","0.07","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Phenazinium 3-carboxylato-1-benzofuran-2-carboxylic acid","","- C22 H14 N2 O5 -","- C22 H14 N2 O5 -","- C44 H28 N4 O10 -","2","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.081","0.0448","","","0.0918","0.1051","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017438","5.8427","0.0002","17.5893","0.0007","7.1302","0.0003","90","","104.634","0.0016","90","","708.99","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Aminoanilinium 2-carboxylato-1-benzofuran-3-carboxylic acid","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.0554","0.0419","","","0.1043","0.1103","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017439","8.594","0.0004","4.7435","0.0002","10.7293","0.0005","90","","95.183","0.004","90","","435.6","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","4-methoxy-1-naphthol","4-methoxy-1-naphthol","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","GD3319","Marciniak, Bernard; Rozycka-Sokolowska, Ewa","4-Methoxy-1-naphthol: chains formed by O—H···O hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2009","65","12","o630","o634","10.1107/S0108270109047556","","","0.71073","MoKα","","0.044","0.0358","","","0.0805","0.0838","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017440","7.52863","0.00018","11.565","0.0003","14.0547","0.0003","90","","102.833","0.002","90","","1193.16","0.05","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[bis(methoxycarbimido)aminato]copper(II)‒1-methylpyrrolidin-2-one (1/2)","","- C18 H34 Cu N8 O6 -","- C18 H34 Cu N8 O6 -","- C36 H68 Cu2 N16 O12 -","2","0.5","GG3219","Chippindale, Ann M.; Bilbé, Edward J.; Hibble, Simon J.","Bis[bis(methoxycarbimido)aminato]copper(II) 1-methylpyrrolidin-2-one disolvate","Acta Crystallographica Section C","2009","65","12","m485","m487","10.1107/S0108270109048252","","","0.71073","MoKα","","0.0281","0.0223","","0.0253","0.0248","0.0245","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017441","11.692","0.002","10.298","0.002","22.19","0.004","90","","100.12","0.03","90","","2630.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trimethylimidazolium sodium dimethylimidazole octamolybdate","Tris(1-methylimidazolium) bis(1-methylimidazole)hexacosaoxidooctamolybdatesodium","","- C20 H33 Mo8 N10 Na O26 -","- C28 H45 Mo8 N14 Na O26 -","- C56 H90 Mo16 N28 Na2 O52 -","2","0.5","KU3013","Feldmann, Claus; Alam, Nure","The novel chain-like anion ~{∞~}^1^[NaMo~8~O~26~(mim)~2~]^3{-^} in (Hmim)~3~[NaMo~8~O~26~(mim)~2~] (mim is 1-methylimidazole)","Acta Crystallographica Section C","2009","65","12","m494","m496","10.1107/S0108270109045089","","","0.71073","MoKα","","0.0545","0.0403","","","0.0901","0.0952","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017442","7.3188","0.0006","8.5847","0.0007","10.1033","0.0008","96.487","0.001","98.756","0.002","107.62","0.001","589.37","0.08","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II)","","- C24 H22 Cu N4 O8 -","- C24 H22 Cu N4 O8 -","- C24 H22 Cu N4 O8 -","1","0.5","KU3016","Wang, Ziliang; Wei, Linheng","Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) and bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate","Acta Crystallographica Section C","2009","65","12","m481","m484","10.1107/S0108270109048203","","","0.71073","MoKα","","0.0304","0.028","","","0.0677","0.069","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017443","14.386","0.0002","15.262","0.0004","24.6922","0.0005","90","","113.288","0.002","90","","4979.71","0.19","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II) monohydrate","","- C24 H28 Cu N4 O5 -","- C24 H28 Cu N4 O5 -","- C192 H224 Cu8 N32 O40 -","8","2","KU3016","Wang, Ziliang; Wei, Linheng","Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) and bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate","Acta Crystallographica Section C","2009","65","12","m481","m484","10.1107/S0108270109048203","","","0.71073","MoKα","","0.0938","0.0466","","","0.0958","0.1083","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017444","14.9475","0.0012","16.5004","0.0011","21.4067","0.0015","90","","108.427","0.006","90","","5009","0.7","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-acesulfamato- κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>- bis[(acesulfamato-κ^2^<i>N</i>,<i>O</i>)bis(3-methylpyridine)cadmium(II)]","","- C40 H44 Cd2 N8 O16 S4 -","- C40 H44 Cd2 N8 O16 S4 -","- C160 H176 Cd8 N32 O64 S16 -","4","0.5","LG3020","Şahin, Zarife Sibel; İçbudak, Hasan; Işık, Şamil","Di-μ-acesulfamato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(acesulfamato-κ^2^<i>N</i>,<i>O</i>)bis(3-methylpyridine)cadmium(II)]","Acta Crystallographica Section C","2009","65","12","m463","m465","10.1107/S0108270109044515","","","0.71073","MoKα","","0.05","0.0315","","","0.0669","0.072","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017445","9.147","0.0004","11.1289","0.0004","15.2605","0.0006","90","","100.231","0.001","90","","1528.76","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-formyl-7-hydroxy-3',3'-dimethylspiro[2<i>H</i>-chromene-2,1'(3'<i>H</i>)-2- benzofuran]","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","LG3023","Bulanov, Antony O.; Shcherbakov, Igor N.; Tupolova, Yulia P.; Popov, Leonid D.; Lukov, Vladimir V.; Kogan, Victor A.; Belikov, Pavel A.","A novel chelatofore functionalized spiropyran of the 2-oxaindane series","Acta Crystallographica Section C","2009","65","12","o618","o620","10.1107/S0108270109044771","","","0.71073","MoKα","","0.045","0.0382","","","0.0995","0.1048","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017446","9.7347","0.0001","19.2639","0.0003","9.7987","0.0001","90","","118.93","0.0008","90","","1608.22","0.04","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","chromium thallium pentadecamolybdenum nonadecaselenide","","- Cr1.453 Mo15 Se19 Tl1.87 -","- Cr1.453 Mo15 Se19 Tl1.87 -","- Cr2.906 Mo30 Se38 Tl3.74 -","2","0.5","LG3024","Gougeon, P.; Salloum, D.; Potel, M.","Cr~1.45~Tl~1.87~Mo~15~Se~19~, a monoclinic variant of the hexagonal In~3~Mo~15~Se~19~ type","Acta Crystallographica Section C","2009","65","12","i87","i90","10.1107/S0108270109047301","","","0.71069","MoKα","","0.0925","0.0489","","","0.0785","0.0865","","","","","","1.49","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017447","24.517","0.006","4.0505","0.0011","16.222","0.004","90","","127.924","0.002","90","","1270.8","0.6","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-((3-nitrophenylamino)methyl)-3-nitrobenzenamine","<i>N</i>,<i>N</i>'-bis(3-nitrophenyl)methanediamine","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C52 H48 N16 O16 -","4","0.5","LN3134","Zhang, Zhenfeng; Wang, Siqian; Zhang, Guisheng","Double anomeric effects and a hydrogen-bonded supramolecular motif in <i>N</i>,<i>N</i>'-bis(3-nitrophenyl)methanediamine","Acta Crystallographica Section C","2009","65","12","o615","o617","10.1107/S0108270109045788","","","0.71073","MoKα","","0.0635","0.0509","","","0.1357","0.1481","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017448","11.1891","0.0011","7.4401","0.0007","21.359","0.002","90","","90","","90","","1778.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C72 H56 N24 O8 S8 -","8","1","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKa","","0.0366","0.0296","","","0.0777","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017449","8.1257","0.0004","11.3239","0.0005","11.386","0.0005","90","","99.363","0.001","90","","1033.72","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-phenyl-2,3-dihydro-7<i>H</i>-1,3-thiazolo[3,2-<i>b</i>][1,2,4]triazin-7-one","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","2","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKα","","0.0242","0.0236","","","0.0603","0.0609","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017450","21.627","0.003","8.1222","0.001","11.8888","0.0015","90","","104.638","0.002","90","","2020.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-phenyl-6,7-dihydro-4<i>H</i>-1,3-thiazolo[2,3-<i>c</i>][1,2,4]triazin-4-one","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C88 H72 N24 O8 S8 -","8","2","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKa","","0.0535","0.0401","","","0.0944","0.101","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017451","7.528","0.002","8.744","0.004","12.695","0.011","90","","100.15","0.04","90","","822.6","0.8","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-allolactoside monohydrate","Methyl β-allolactoside monohydrate","","- C13 H26 O12 -","- C13 H26 O12 -","- C26 H52 O24 -","2","1","MX3023","Klepach, Thomas E.; Reed, Meredith; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-allolactoside [methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 6)-β-<small>D</small>-glucopyranoside] monohydrate","Acta Crystallographica Section C","2009","65","12","o601","o606","10.1107/S0108270109042310","","","0.7749","synchrotron","","0.0551","0.0491","","","0.1175","0.1212","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017452","8.7749","0.0007","21.8204","0.0017","13.574","0.0011","90","","105.479","0.001","90","","2504.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)- 1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]cadmium(II)}","","- C54 H32 Cd2 Cl2 F2 N8 O10 -","- C54 H32 Cd2 Cl2 F2 N8 O10 -","- C108 H64 Cd4 Cl4 F4 N16 O20 -","2","0.5","SK3340","Wang, Xiu-Yan; Wang, Ming; Ma, Xiao-Yuan","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]cadmium(II)} and its zinc(II) analogue","Acta Crystallographica Section C","2009","65","12","m459","m462","10.1107/S0108270109044886","","","0.71073","MoKα","","0.0559","0.0366","","","0.0791","0.0866","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017453","8.695","0.003","21.72","0.006","13.211","0.004","90","","104.655","0.005","90","","2413.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)- 1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]zinc(II)}","","- C54 H32 Cl2 F2 N8 O10 Zn2 -","- C54 H32 Cl2 F2 N8 O10 Zn2 -","- C108 H64 Cl4 F4 N16 O20 Zn4 -","2","0.5","SK3340","Wang, Xiu-Yan; Wang, Ming; Ma, Xiao-Yuan","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]cadmium(II)} and its zinc(II) analogue","Acta Crystallographica Section C","2009","65","12","m459","m462","10.1107/S0108270109044886","","","0.71073","MoKα","","0.0904","0.0499","","","0.0988","0.1158","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017454","5.6201","0.0004","11.3645","0.0009","19.0281","0.0016","90","","96.659","0.004","90","","1207.12","0.16","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-5-(prop-1-ynyl)-pyrimidin- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","2","SK3346","Budow, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","2'-Deoxy-5-propynyluridine: a nucleoside with two conformations in the asymmetric unit","Acta Crystallographica Section C","2009","65","12","o645","o648","10.1107/S0108270109044850","","","0.71073","MoKα","","0.0386","0.033","","","0.0846","0.0884","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017455","10.371","0.002","9.18","0.002","19.084","0.004","90","","90.209","0.004","90","","1816.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-bis[(<i>E</i>)-quinoxalin-2-ylmethylidene]propane-1,3-diamine","","- C21 H18 N6 -","- C21 H18 N6 -","- C84 H72 N24 -","4","0.5","SK3348","Varghese, Digna; Arun, V.; Robinson, P. P.; Sebastian, Manju; Leeju, P.; Varsha, G.; Yusuff, K. K. M.","Two novel bis-azomethines derived from quinoxaline-2-carbaldehyde","Acta Crystallographica Section C","2009","65","12","o612","o614","10.1107/S0108270109045168","","","0.71073","MoKα","","0.0921","0.076","","","0.161","0.1689","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017456","4.4819","0.0012","5.3333","0.0014","39.456","0.01","90","","92.266","0.004","90","","942.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis[(<i>E</i>)-quinoxalin-2-ylmethylidene]butane-1,4-diamine","","- C22 H20 N6 -","- C22 H20 N6 -","- C44 H40 N12 -","2","0.5","SK3348","Varghese, Digna; Arun, V.; Robinson, P. P.; Sebastian, Manju; Leeju, P.; Varsha, G.; Yusuff, K. K. M.","Two novel bis-azomethines derived from quinoxaline-2-carbaldehyde","Acta Crystallographica Section C","2009","65","12","o612","o614","10.1107/S0108270109045168","","","0.71073","MoKα","","0.0839","0.0712","","","0.1784","0.1862","","","","","","1.14","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017457","10.412","0.003","14.466","0.003","15.411","0.004","90","","98.956","0.002","90","","2292.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[aqua(11-chloropyrido[2',3':2,3]pyrimidino[5,6- <i>f</i>][1,10]peneanthroline-κ^2^<i>N</i>^4^,<i>N</i>^5^)cadmium(II)]- μ-benzene-1,4-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^]","","- C25 H14 Cd Cl N5 O5 -","- C25 H14 Cd Cl N5 O5 -","- C100 H56 Cd4 Cl4 N20 O20 -","4","1","SQ3222","Kong, Zhi-Guo; Wang, Ming; Ma, Xiao-Yuan; Wang, Qing-Wei","<i>catena</i>-Poly[[aqua(11-chloropyrido[2',3':2,3]pyrimidino[5,6-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^4^,<i>N</i>^5^)cadmium(II)]-μ-benzene-1,4-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^]: an inclined interpenetrating (6,3) network","Acta Crystallographica Section C","2009","65","12","m472","m474","10.1107/S0108270109045235","","","0.71073","MoKα","","0.0604","0.0316","","","0.0629","0.0663","","","","","","0.889","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017458","15.1836","0.0017","11.3719","0.0013","13.5342","0.0016","90","","115.447","0.001","90","","2110.2","0.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ~3~-5'-carboxy-2,2'-bipyridine-5-carboxylato- κ^4^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')lead(II)]","","- C24 H14 N4 O8 Pb -","- C24 H14 N4 O8 Pb -","- C96 H56 N16 O32 Pb4 -","4","0.5","SQ3226","Xie, Cheng-Zhi; Qiao, Xin; Xue, Fei; Xu, Jing-Yuan","Poly[bis(μ~3~-5'-carboxy-2,2'-bipyridine-5-carboxylato-κ^4^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')lead(II)]","Acta Crystallographica Section C","2009","65","12","m491","m493","10.1107/S0108270109047015","","","0.71073","MoKα","","0.0209","0.02","","","0.0488","0.0492","","","","","","1.094","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017459","11.1693","0.0004","10.2261","0.0003","9.0551","0.0003","90","","102.799","0.003","90","","1008.56","0.06","291","0.3","291","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate","","- C7 H8 N2 O4 S2 -","- C7 H8 N2 O4 S2 -","- C28 H32 N8 O16 S8 -","4","1","UK3015","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","2,3-Dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate and 2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate: a combined structural and theoretical study","Acta Crystallographica Section C","2009","65","12","o624","o629","10.1107/S0108270109045673","","","0.71073","MoKα","","0.0349","0.0313","","","0.0855","0.0897","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017460","18.9085","0.0011","8.236","0.0006","12.9684","0.001","90","","121.605","0.009","90","","1720","0.3","291","0.3","291","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate","","- C7 H6 N2 O3 S2 -","- C7 H6 N2 O3 S2 -","- C56 H48 N16 O24 S16 -","8","1","UK3015","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","2,3-Dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate and 2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate: a combined structural and theoretical study","Acta Crystallographica Section C","2009","65","12","o624","o629","10.1107/S0108270109045673","","","0.71073","MoKα","","0.0346","0.034","","","0.0879","0.0886","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2019328","13.8593","0.0003","10.5242","0.0002","14.8044","0.0004","90","","92.0014","0.0007","90","","2158.02","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-<i>tert</i>-butyl-3-oxa-2-thia-1-azabicyclo[5.1.0]oct-6-ene 2,2-dioxide","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","2","BM3085","Feast, George C.; Haestier, James; Page, Lee W.; Robertson, Jeremy; Thompson, Amber L.; Watkin, David J.","An unusual methylene aziridine refined inP21/cand the nonstandard settingP21/n","Acta Crystallographica Section C Crystal Structure Communications","2009","65","12","o635","8","10.1107/S0108270109046952","","","0.71073","MoKα","","0.061","0.0428","","0.1232","0.0998","0.1232","","","","","","0.9387","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019329","13.8594","0.0002","10.5243","0.0002","19.923","0.0003","90","","132.044","0.0007","90","","2158.07","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","2","BM3085","Feast, George C.; Haestier, James; Page, Lee W.; Robertson, Jeremy; Thompson, Amber L.; Watkin, David J.","An unusual methylene aziridine refined inP21/cand the nonstandard settingP21/n","Acta Crystallographica Section C Crystal Structure Communications","2009","65","12","o635","8","10.1107/S0108270109046952","","","0.71073","MoKα","","0.0611","0.043","","0.12","0.0974","0.12","","","","","","0.9413","","","","has coordinates","176435","2020-10-21","18:00:00",""