# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-19T08:21:58+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 = 67 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
"2017920","8.1587","0.0016","9.8055","0.0019","27.758","0.005","90","","94.358","0.003","90","","2214.2","0.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)- N-methylpyridine-2-carboxamide","","- C21 H16 Cl F3 N4 O3 -","- C21 H16 Cl F3 N4 O3 -","- C84 H64 Cl4 F12 N16 O12 -","4","1","DN3155","Ravikumar, K.; Sridhar, B.; Bhujanga Rao, A. K. S.; Pulla Reddy, M.","Sorafenib and its tosylate salt: a multikinase inhibitor for treating cancer","Acta Crystallographica Section C","2011","67","1","o29","o32","10.1107/S0108270110047451","","","0.71073","MoKα","","0.0447","0.0368","","","0.0961","0.1023","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017921","21.276","0.004","9.116","0.0017","16.077","0.003","90","","108.143","0.003","90","","2963.1","1","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-2-(N- methylcarbamoyl)pyridinium 4-methylbenzenesulfonate","","- C28 H24 Cl F3 N4 O6 S -","- C28 H24 Cl F3 N4 O6 S -","- C112 H96 Cl4 F12 N16 O24 S4 -","4","1","DN3155","Ravikumar, K.; Sridhar, B.; Bhujanga Rao, A. K. S.; Pulla Reddy, M.","Sorafenib and its tosylate salt: a multikinase inhibitor for treating cancer","Acta Crystallographica Section C","2011","67","1","o29","o32","10.1107/S0108270110047451","","","0.71073","MoKα","","0.0741","0.05","","","0.1278","0.1422","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017922","6.6257","0.0004","26.488","0.002","8.0032","0.0005","90","","100.347","0.005","90","","1381.73","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethyl sulfoxide monosolvate","(E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethyl sulfoxide monosolvate","","- C10 H12 N4 O6 S -","- C10 H12 N4 O6 S -","- C40 H48 N16 O24 S4 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.091","0.0499","","","0.0975","0.1098","","","","","","0.885","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017923","16.171","0.0011","13.7985","0.0008","10.3465","0.0008","90","","102.358","0.006","90","","2255.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","nitrofurantoin dimethyl sulfoxide hemisolvate","(E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethyl sulfoxide hemisolvate","","- C9 H9 N4 O5.5 S0.5 -","- C9 H9 N4 O5.5 S0.5 -","- C72 H72 N32 O44 S4 -","8","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.047","0.0386","","","0.0961","0.0998","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017924","6.6544","0.0005","7.9842","0.0006","14.3515","0.0011","100.021","0.006","93.566","0.006","99.274","0.006","737.85","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","nitrofurantoin dimethylacetamide monosolvate","(E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dion dimethylacetamide monosolvate","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C24 H30 N10 O12 -","2","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0587","0.0384","","","0.0934","0.1004","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017925","16.2038","0.0016","7.4215","0.0005","13.1195","0.0012","90","","111.681","0.007","90","","1466.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethylacetamide monosolvate","(E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dion dimethylacetamide monosolvate","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0989","0.0504","","","0.0941","0.1064","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017926","20.874","0.002","11.5433","0.0009","8.7162","0.0009","90","","100.708","0.009","90","","2063.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethylacetamide disolvat","(E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethylacetamide disolvat","","- C16 H24 N6 O7 -","- C16 H24 N6 O7 -","- C64 H96 N24 O28 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0606","0.0467","","","0.1195","0.1261","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017927","11.3031","0.0007","13.1539","0.0008","9.3959","0.0005","90","","94.327","0.005","90","","1393","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diacetaminopyridine dimethylformamide monosolvate","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C48 H72 N16 O12 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0583","0.0415","","","0.0931","0.099","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017928","9.8407","0.0006","17.9443","0.001","10.9902","0.0006","90","","97.839","0.005","90","","1922.56","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nitrofurantoin‒2,6-diacetaminopyridine (1/1)","(E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione‒2,6- diacetaminopyridine (1/1)","","- C17 H17 N7 O7 -","- C17 H17 N7 O7 -","- C68 H68 N28 O28 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0597","0.0444","","","0.1151","0.1222","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017929","8.7142","0.0002","12.0207","0.0003","13.9102","0.0004","90","","100.974","0.0018","90","","1430.46","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(E)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzofuran-4-ylidene]-4- isopropylidenetetrahydrofuran-2,5-dione","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0452","0.0369","","","0.0928","0.0986","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017930","9.1881","0.0002","12.0022","0.0003","13.7215","0.0003","90","","100.433","0.0013","90","","1488.16","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(E)-1,3-dimethyl-5,6,7,8-tetrahydro-4H- cyclohepta[c]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0451","0.0349","","","0.0861","0.0909","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017931","8.7024","0.0002","12.8964","0.0004","26.9492","0.0007","90","","90","","90","","3024.5","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(Z)-1,3-dimethyl-5,6,7,8-tetrahydro-4H-\ cyclohepta[c]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0542","0.0377","","","0.0885","0.0965","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017932","7.175","0.0002","12.0569","0.0002","19.9592","0.0004","103.814","0.0012","91.1022","0.0013","106.593","0.0012","1599.77","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3-isopropylidene-4-[(E)-1-(5-methoxy-2-methyl-1-benzofuran-3- yl)ethylidene]tetrahydrofuran-2,5-dione","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","2","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0532","0.0396","","","0.0992","0.1069","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017933","26.5923","0.0004","8.614","0.0001","15.355","0.0002","90","","115.848","0.0008","90","","3165.41","0.08","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-isopropylidene-4-[(Z)-1-(5-methoxy-2-methyl-1-benzofuran-3- yl)ethylidene]tetrahydrofuran-2,5-dione","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0383","0.0339","","","0.0882","0.0911","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017934","3.9293","0.0003","8.6611","0.0007","9.6044","0.0008","83.111","0.005","88.09","0.006","81.479","0.006","320.88","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,6-diaminopyrimidin-4(3H)-one monohydrate","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C8 H16 N8 O4 -","2","1","FN3068","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Two new polymorphs of 2,6-diaminopyrimidin-4(3H)-one monohydrate","Acta Crystallographica Section C","2011","67","1","o6","o9","10.1107/S0108270110046317","","","0.71073","MoKα","","0.0394","0.0358","","","0.1068","0.1118","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017935","17.236","0.011","3.987","0.003","18.717","0.012","90","","104.45","0.009","90","","1245.5","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-diaminopyrimidin-4(3H)-one monohydrate","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","FN3068","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Two new polymorphs of 2,6-diaminopyrimidin-4(3H)-one monohydrate","Acta Crystallographica Section C","2011","67","1","o6","o9","10.1107/S0108270110046317","","","0.71073","MoKα","","0.0893","0.0556","","","0.1306","0.1477","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017936","11.633","0.001","26.665","0.002","15.2364","0.0014","90","","91.513","0.001","90","","4724.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate","","- C33 H24 Br -","- C33 H24 Br -","- C264 H192 Br8 -","8","2","GZ3187","Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M.","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-a:2',1'-j]anthracene","Acta Crystallographica Section C","2011","67","1","o43","o46","10.1107/S0108270110052297","","","0.71073","MoKα","","0.0766","0.0425","","","0.089","0.1011","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017937","19.749","0.003","13.2672","0.0017","7.3108","0.0009","90","","90.021","0.002","90","","1915.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-bromodinaphth[1,2-a:2',1'-j]anthracene","","- C30 H17 Br -","- C30 H17 Br -","- C120 H68 Br4 -","4","1","GZ3187","Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M.","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-a:2',1'-j]anthracene","Acta Crystallographica Section C","2011","67","1","o43","o46","10.1107/S0108270110052297","","","0.71073","MoKα","","0.0366","0.0301","","","0.0695","0.0731","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017938","21.053","0.004","7.203","0.0014","13.37","0.003","90","","92","0.01","90","","2026.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate","","- C28 H42 Co O28 P4 -","- C28 H42 Co O28 P4 -","- C56 H84 Co2 O56 P8 -","2","0.5","GZ3188","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate","Acta Crystallographica Section C","2011","67","1","m9","m12","10.1107/S0108270110051425","","","0.71073","MoKα","","0.0819","0.0355","","","0.0623","0.0729","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017939","5.054","0.0002","6.2507","0.0002","10.9778","0.0002","85.57","0.001","88.638","0.001","84.509","0.002","344.131","0.019","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato- κ^3^N^1^:O^2^:O^2'^)silver(I)]","","- C6 H4 Ag N3 O3 -","- C6 H4 Ag N3 O3 -","- C12 H8 Ag2 N6 O6 -","2","1","JZ3193","Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.; Öhrström, Lars","The coordination polymer poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato-κ^3^N^1^:O^2^:O^2'^)silver(I)]","Acta Crystallographica Section C","2011","67","1","m1","m4","10.1107/S0108270110049875","","","0.71073","MoKα","","0.0787","0.0473","","","0.0801","0.0909","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017940","8.742","0.002","9.403","0.003","17.979","0.003","90","","90","","90","","1477.9","0.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Caesium aluminium dizirconium tetrakis[phosphate(V)]","","- Al Cs O16 P4 Zr2 -","- Al Cs O16 P4 Zr2 -","- Al4 Cs4 O64 P16 Zr8 -","4","0.5","KU3036","Zhao, Dan; Li, Fei-Fei; Zhang, Ai-Yun; Yang, Lei; Zhu, Rui","CsAlZr~2~(PO~4~)~4~: an anhydrous aluminium zirconium phosphate with a novel three-dimensional framework","Acta Crystallographica Section C","2011","67","1","i4","i6","10.1107/S0108270110050535","","","0.71073","MoKα","","0.0295","0.0279","","","0.0665","0.0675","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017941","9.0999","0.0005","9.5912","0.0005","12.3272","0.0007","89.133","0.003","69.418","0.002","82.74","0.003","998.66","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,6-diamino-1H-purin-3-ium) di-μ-croconato- κ^3^O,O':O'';κ^3^O:O',O''- bis[tetraaqua(croconato-κ^2^O,O')neodymium(III)]","","- C30 H30 N12 Nd2 O28 -","- C30 H30 N12 Nd2 O28 -","- C30 H30 N12 Nd2 O28 -","1","0.5","MX3042","Atria, Ana María; Morel, Mauricio; Garland, Maria Teresa; Baggio, Ricardo","Bis(2,6-diamino-1H-purin-3-ium) di-μ-croconato-κ^3^O,O':O'';κ^3^O:O',O''-bis[tetraaqua(croconato-κ^2^O,O')neodymium(III)]","Acta Crystallographica Section C","2011","67","1","m17","m21","10.1107/S0108270110052893","","","0.71073","MoKα","","0.0339","0.0311","","","0.0799","0.0818","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017942","9.6931","0.0009","16.8888","0.0016","16.4202","0.0018","90","","94.706","0.012","90","","2679","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one","","- C16 H14 F N O S -","- C16 H14 F N O S -","- C128 H112 F8 N8 O8 S8 -","8","2","SF3141","Gutiérrez, Alexander; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section C","2011","67","1","o10","o12","10.1107/S0108270110044550","","","0.71073","MoKα","","0.1238","0.0516","","","0.0966","0.1241","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017943","8.6971","0.0005","10.3972","0.0005","21.728","0.0015","90","","90","","90","","1964.8","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-bis(hydroxymethyl)propane-1,3-diyl bis(thiocyanate)","","- C7 H10 N2 O2 S2 -","- C7 H10 N2 O2 S2 -","- C56 H80 N16 O16 S16 -","8","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.09","0.0397","","","0.0608","0.0691","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017944","6.1635","0.0003","19.6495","0.001","6.3889","0.0004","90","","96.617","0.005","90","","768.6","0.07","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2-bis(chloromethyl)propane-1,3-diol","","- C5 H10 Cl2 O2 -","- C5 H10 Cl2 O2 -","- C20 H40 Cl8 O8 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0299","0.0277","","","0.0743","0.0748","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017945","13.1287","0.001","6.0588","0.0005","12.5024","0.0012","90","","98.135","0.008","90","","984.49","0.15","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,9-dimethyl-2,4,8,10-tetraoxa-3λ^4^-thiaspiro[5.5]undecan-3-one","","- C8 H14 O5 S -","- C8 H14 O5 S -","- C32 H56 O20 S4 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0419","0.0291","","","0.0766","0.0792","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017946","9.3934","0.0002","8.5696","0.0002","15.7918","0.0004","90","","104.38","0.002","90","","1231.38","0.05","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5,5-dimethenyl-2,2-dimethyl-1,3-dioxane bis(thiocyanate)","{[5-(cyanosulfanyl)-2,2-dimethyl-1,3-dioxan-5-yl]sulfanyl}formonitrile","","- C10 H14 N2 O2 S2 -","- C10 H14 N2 O2 S2 -","- C40 H56 N8 O8 S8 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0422","0.0292","","","0.0746","0.0772","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017947","11.9079","0.0015","15.6452","0.0013","9.255","0.001","90","","91.727","0.011","90","","1723.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","SK3396","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate","Acta Crystallographica Section C","2011","67","1","o26","o28","10.1107/S0108270110047955","","","0.71073","MoKα","","0.0725","0.049","","","0.1019","0.1116","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017948","10.108","0.002","21.824","0.004","10.393","0.002","90","","92.52","0.03","90","","2290.4","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C88 H144 N16 O16 -","8","2","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.71073","MoKα","","0.0774","0.0578","","","0.1305","0.1401","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017949","22.839","0.006","5.0394","0.0013","18.802","0.005","90","","111.224","0.004","90","","2017.2","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-ethyl-5-methylhexanamide","","- C9 H19 N O -","- C9 H19 N O -","- C72 H152 N8 O8 -","8","1","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.6933","synchrotron","","0.0697","0.0544","","","0.1467","0.1586","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017950","21.597","0.005","5.0469","0.0012","18.424","0.005","90","","111.529","0.003","90","","1868.1","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethylpentanamide","","- C8 H17 N O -","- C8 H17 N O -","- C64 H136 N8 O8 -","8","2","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.6933","synchrotron","","0.08","0.049","","","0.1221","0.1405","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017951","14.27366","0.00009","11.75678","0.00007","7.19753","0.00004","90","","90","","90","","1207.83","0.012","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","","distrontium dimagnesium pentadecaoxidotetraphosphate","","- Mg2.64 O15 P4 Sr2.36 -","- Mg2.643 O15 P4 Sr2.357 -","- Mg10.572 O60 P16 Sr9.428 -","4","0.25","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+x~Mg~3{-~x}P~4~O~15~ (x σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.0276","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017952","6.9443","0.0004","8.2861","0.0004","9.0438","0.0005","90","","113.816","0.003","90","","476.08","0.05","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimagnesium heptaoxidodiphosphate","","- Mg2 O7 P2 -","- Mg2 O7 P2 -","- Mg8 O28 P8 -","4","1","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+x~Mg~3{-~x}P~4~O~15~ (x σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.0469","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017953","7.594","0.003","8.282","0.008","5.071","0.004","90","","94.01","0.06","90","","318.2","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","trimagnesium ocyaoxidodiphosphate","","- Mg3 O8 P2 -","- Mg3 O8 P2 -","- Mg6 O16 P4 -","2","0.5","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+x~Mg~3{-~x}P~4~O~15~ (x σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.049","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017954","29.5249","0.0014","8.0969","0.0009","15.4717","0.0006","90","","98.635","0.004","90","","3656.7","0.5","291","","291","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diethyl 2,2'-[({[amino(pyrazin-2- yl)methylidene]hydrazinylidene}methylidene)bis(sulfanediyl)]diacetate","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C112 H152 N40 O32 S16 -","8","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0362","0.0292","","","0.0892","0.0917","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017955","7.7213","0.0001","8.1004","0.0001","9.3331","0.0001","87.9959","0.0011","79.0802","0.0012","82.8402","0.001","568.667","0.012","290","","290","","","","","","","","","4","P -1","-P 1","2","","methyl 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazate","","- C8 H11 N5 S2 -","- C8 H11 N5 S2 -","- C16 H22 N10 S4 -","2","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0335","0.0319","","","0.0937","0.0945","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017956","7.2329","0.0001","7.9041","0.0001","14.0969","0.0002","105.717","0.001","91.368","0.001","93.863","0.001","773.274","0.019","290","","290","","","","","","","","","4","P -1","-P 1","2","","benzyl 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazate","","- C14 H15 N5 S2 -","- C14 H15 N5 S2 -","- C28 H30 N10 S4 -","2","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","1.54178","CuKα","","0.0367","0.0359","","","0.0974","0.0982","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017957","20.7274","0.0006","5.7456","0.0001","9.1455","0.0003","90","","90","","90","","1089.15","0.05","290","","290","","","","","","","","","3","P c a 21","P 2c -2ac","29","","N'-Anilinopyrazine-2-carboximidamide","","- C11 H11 N5 -","- C11 H11 N5 -","- C44 H44 N20 -","4","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0423","0.0295","","","0.0657","0.0681","","","","","","0.904","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017958","16.7686","0.0006","8.4646","0.0003","7.4464","0.0003","90","","99.093","0.001","90","","1043.66","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)]","","- C10 H8 Mn O6 -","- C10 H8 Mn O6 -","- C40 H32 Mn4 O24 -","4","0.5","GG3245","Böhle, Tony; Eissmann, Frank; Weber, Edwin; Mertens, Florian O. R. L.","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres","Acta Crystallographica Section C","2011","67","1","m5","m8","10.1107/S0108270110046950","","","0.71073","MoKα","","0.0197","0.0189","","","0.0514","0.0518","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017959","16.5936","0.0006","8.4438","0.0003","7.4838","0.0003","90","","97.649","0.002","90","","1039.25","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)]","","- C10 H8 O6 Zn -","- C10 H8 O6 Zn -","- C40 H32 O24 Zn4 -","4","0.5","GG3245","Böhle, Tony; Eissmann, Frank; Weber, Edwin; Mertens, Florian O. R. L.","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres","Acta Crystallographica Section C","2011","67","1","m5","m8","10.1107/S0108270110046950","","","0.71073","MoKα","","0.0289","0.0222","","","0.0469","0.0487","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017960","8.779","0.0018","13.374","0.003","13.113","0.003","90","","101.99","0.03","90","","1506","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-bromido-bis[bromido(1-carboxymethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κN^4^)(nitrito-κ^2^O,O')cadmium(II)] dihydrate","","- C16 H34 Br4 Cd2 N6 O10 -","- C16 H34 Br4 Cd2 N6 O10 -","- C32 H68 Br8 Cd4 N12 O20 -","2","0.5","SQ3272","Cai, Ying","Mononuclear and dinuclear bromide‒nitrite cadmium(II) complexes with related 1,4-diazabicyclo[2.2.2]octane ligands","Acta Crystallographica Section C","2011","67","1","m13","m16","10.1107/S010827011005167X","","","0.71073","MoKα","","0.0612","0.0488","","","0.1119","0.1177","","","","","","1.073","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017961","7.343","0.002","16.254","0.005","12.85","0.004","90","","99.505","0.005","90","","1512.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aquabromido(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κN^4^)bis(nitrito-κ^2^O,O')cadmium(II) monohydrate","","- C8 H18 Br Cd N5 O6 -","- C8 H18 Br Cd N5 O6 -","- C32 H72 Br4 Cd4 N20 O24 -","4","1","SQ3272","Cai, Ying","Mononuclear and dinuclear bromide‒nitrite cadmium(II) complexes with related 1,4-diazabicyclo[2.2.2]octane ligands","Acta Crystallographica Section C","2011","67","1","m13","m16","10.1107/S010827011005167X","","","0.71073","MoKα","","0.0412","0.0352","","","0.1075","0.1232","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017962","9.0022","0.0002","11.2121","0.0004","13.8356","0.0004","90","","93.016","0.002","90","","1394.54","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1,2,4-trimethylpyridinium) hexa-μ-chlorido-tetrachloridotetracuprate(II)","","- C16 H24 Cl10 Cu4 N2 -","- C16 H24 Cl10 Cu4 N2 -","- C32 H48 Cl20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0489","0.0322","","","0.0705","0.0765","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017963","9.4742","0.0002","11.7845","0.0004","14.129","0.0004","90","","93.408","0.002","90","","1574.69","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1,2,4-trimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C16 H24 Br10 Cu4 N2 -","- C16 H24 Br10 Cu4 N2 -","- C32 H48 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0718","0.0388","","","0.0817","0.0935","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017964","12.0358","0.0003","9.5125","0.0002","12.4133","0.0003","90","","105.756","0.001","90","","1367.81","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-methylpyridinium) hexa-μ~2~-bromido-tetrabromidotetracuprate(II)","","- C12 H16 Br10 Cu4 N2 -","- C12 H16 Br10 Cu4 N2 -","- C24 H32 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.1026","0.0428","","","0.0769","0.0911","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017965","6.3969","0.0001","11.8734","0.0002","12.2699","0.0003","107.693","0.001","100.607","0.001","100.888","0.001","842.33","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(trimethylphenylammonium) hexa-μ~2~-bromido-tetrabromidocuprate(II)","","- C18 H28 Br10 Cu4 N2 -","- C18 H28 Br10 Cu4 N2 -","- C18 H28 Br10 Cu4 N2 -","1","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0826","0.0453","","","0.0974","0.1128","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017966","6.363","0.0001","22.9814","0.0002","11.2713","0.0001","90","","91.205","0.001","90","","1647.85","0.03","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3-chloro-1-methylpyridinium) octa-μ~2~-chlorido-tetrachloridopentacuprate(II)","","- C12 H14 Br12 Cl2 Cu5 N2 -","- C12 H14 Br12 Cl2 Cu5 N2 -","- C24 H28 Br24 Cl4 Cu10 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0658","0.038","","","0.0838","0.0947","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017967","7.2353","0.0001","10.7361","0.0002","12.8913","0.0002","90.985","0.001","105.006","0.001","100.374","0.001","949.27","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis(2-chloro-1-methylpyridinium) dodeca-μ~2~bromido-tetrabromidoheptacuprate(II)","","- C12 H14 Br16 Cl2 Cu7 N2 -","- C12 H13.004 Br16 Cl2 Cu7 N2 -","- C12 H13.004 Br16 Cl2 Cu7 N2 -","1","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0681","0.0382","","","0.0846","0.0955","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017968","9.5112","0.0004","12.3581","0.0005","12.4617","0.0006","90","","91.502","0.003","90","","1464.25","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(3,4-dimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0652","0.0463","","","0.1352","0.1503","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017969","9.7548","0.0005","12.5783","0.0008","12.2179","0.0005","90","","96.459","0.003","90","","1489.61","0.14","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,3-dimethylpyridinium) hexa-μ-chlorido-tetrachloridotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.1223","0.0497","","","0.0921","0.1131","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017970","4.037","0.0001","22.3375","0.0006","15.8508","0.0003","90","","96.095","0.002","90","","1421.29","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,4-dimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~n~X~2n~+2]^2{-^} (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0609","0.0447","","","0.1262","0.1376","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017971","9.084","0.004","26.311","0.01","2.8223","0.0011","90","","90","","90","","674.6","0.5","296","2","296","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Tetrasodium nonamanganese octadecaoxide","","- Mn9 Na4.32 O18 -","- Mn9 Na4.322 O18 -","- Mn18 Na8.644 O36 -","2","0.25","BI3006","Chu, Qingxin; Wang, Xiaofeng; Li, Qiliang; Liu, Xiaoyang","The tunnel manganese oxide Na~4.32~Mn~9~O~18~: a new Na^+^ site discovered by single-crystal X-ray diffraction","Acta Crystallographica Section C","2011","67","2","i10","i12","10.1107/S0108270110052856","","","0.71073","MoKα","","0.0441","0.0315","","","0.0632","0.0677","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017972","11.6765","0.001","12.4744","0.0008","26.024","0.002","90","","98.892","0.007","90","","3745","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-tert-Butylporphyrinato)copper(II)","","- C24 H20 Cu N4 -","- C24 H20 Cu N4 -","- C192 H160 Cu8 N32 -","8","2","DN3156","Senge, Mathias O.","(5-tert-Butylporphyrinato)copper(II), a nonplanar porphyrin with only one sterically demanding meso residue","Acta Crystallographica Section C","2011","67","2","m39","m42","10.1107/S0108270111000904","","","0.71073","MoKα","","0.0677","0.0479","","","0.1159","0.1229","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017973","10.7679","0.0017","8.5489","0.0014","11.4313","0.0018","90","","95.297","0.002","90","","1047.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten","","- C8 H6 B F3 O4 W -","- C8 H6 B F3 O4 W -","- C32 H24 B4 F12 O16 W4 -","4","1","EG3068","Roll, Joachim; Tewes, Heiko; Castillo Soto, Eduardo; Oñate Rodríguez, Enrique","Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten","Acta Crystallographica Section C","2011","67","2","m43","m45","10.1107/S0108270111000631","","","0.71073","MoKα","","0.0234","0.0201","","","0.0425","0.0434","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017974","7.3326","0.0005","9.8832","0.0005","13.3922","0.0011","90","","90","","90","","970.53","0.11","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid","","- C11 H7 N O4 -","- C11 H7 N O4 -","- C44 H28 N4 O16 -","4","1","EM3036","Moreno-Fuquen, Rodolfo; Tenorio, Juan C.; Ellena, Javier; De Simone, Carlos A.; Ribeiro, Leandro","4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid: X-ray and DFT-calculated structure","Acta Crystallographica Section C","2011","67","2","o67","o70","10.1107/S0108270111002265","","","0.71073","MoKα","","0.084","0.049","","","0.109","0.128","","","","","","1.128","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017975","10.915","0.006","15.42","0.01","17.972","0.012","90","","115.945","0.002","90","","2720","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato- κ^2^O^5^,O^6^)bis[2-(2-pyridyl)-1H-benzimidazole- κ^2^N^2^,N^3^)manganese(II) monohydrate","","- C29 H22 Mn N8 O5 -","- C29 H22 Mn N8 O5 -","- C116 H88 Mn4 N32 O20 -","4","1","FG3213","Ma, Cheng-Bing; Chen, Hui; Hu, Ming-Qiang; Chen, Chang-Neng","(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^2^O^5^,O^6^)bis[2-(2-pyridyl)-1H-benzimidazole-κ^2^N^2^,N^3^]manganese(II) monohydrate","Acta Crystallographica Section C","2011","67","2","m59","m61","10.1107/S0108270111002782","","","0.71073","MoKα","","0.0907","0.0654","","","0.1623","0.1822","","","","","","1.086","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017976","19.098","0.004","6.7985","0.0014","12.251","0.003","90","","111.85","0.03","90","","1476.4","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato- κ^3^N^1^:N^2^:N^4^)-dicadmium(II)]","","- C2 H3 Cd2 N3 O5 S -","- C2 H3 Cd2 N3 O5 S -","- C16 H24 Cd16 N24 O40 S8 -","8","1","FN3070","Liang, Qian; Pan, Tong-Hen; Huang, Chang-Cang","Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato-κ^3^N^1^:N^2^:N^4^)-dicadmium(II)]: a cadmium‒triazolate coordination polymer with a pseudo-cubane-like tetranuclear cluster","Acta Crystallographica Section C","2011","67","2","m56","m58","10.1107/S0108270110052765","","","0.71073","MoKα","","0.0237","0.0228","","","0.0501","0.0506","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017977","17.0337","0.0006","18.0092","0.0005","7.355","0.0002","90","","109.651","0.002","90","","2124.84","0.11","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis(urea-κO)zinc(II) dinitrate","","- C6 H24 N14 O12 Zn -","- C6 H24 N14 O12 Zn -","- C24 H96 N56 O48 Zn4 -","4","0.5","FN3074","Smeets, Stef; Lutz, Martin","Hexakis(urea-κO)zinc(II) dinitrate at 110 and 250K: uniaxial negative thermal expansion","Acta Crystallographica Section C","2011","67","2","m50","m55","10.1107/S0108270111000023","","","0.71073","MoKα","","0.0261","0.0222","","","0.0573","0.0589","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017978","17.1082","0.0006","17.9456","0.0007","7.46654","0.00016","90","","109.701","0.002","90","","2158.17","0.13","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis(urea-κO)zinc(II) dinitrate","","- C6 H24 N14 O12 Zn -","- C6 H24 N14 O12 Zn -","- C24 H96 N56 O48 Zn4 -","4","0.5","FN3074","Smeets, Stef; Lutz, Martin","Hexakis(urea-κO)zinc(II) dinitrate at 110 and 250K: uniaxial negative thermal expansion","Acta Crystallographica Section C","2011","67","2","m50","m55","10.1107/S0108270111000023","","","0.71073","MoKα","","0.0391","0.0287","","","0.0697","0.0747","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017979","9.6848","0.0005","10.5107","0.0005","20.1765","0.0013","90","","90","","90","","2053.8","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Propynyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranoside","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","GD3372","Al-Mughaid, Hussein; Robertson, Katherine N.; Werner-Zwanziger, Ulrike; Lumsden, Michael D.; Cameron, T. Stanley; Grindley, T. Bruce","2-Propynyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranoside","Acta Crystallographica Section C","2011","67","2","o60","o63","10.1107/S010827011005225X","","","0.7107","MoKα","","0.0411","0.0389","","","0.1104","0.1127","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017980","10.296","0.002","10.0793","0.0019","13.137","0.002","90","","96.646","0.014","90","","1354.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Phenylenebis(methylene) bis(9H-carbazole-9-carbodithioate)","","- C34 H24 N2 S4 -","- C34 H24 N2 S4 -","- C68 H48 N4 S8 -","2","0.5","GG3251","Zuluaga, Fabio; Grande, Carlos; Cobo, Justo; Glidewell, Christopher","1,4-Phenylenebis(methylene) bis(9H-carbazole-9-carbodithioate)","Acta Crystallographica Section C","2011","67","2","o77","o79","10.1107/S0108270110053102","","","0.71073","MoKα","","0.0822","0.0522","","","0.0898","0.0988","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017981","4.7347","0.0001","18.1877","0.0007","18.1068","0.0006","90","","93.594","0.002","90","","1556.17","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,13,23-triazahexacyclo[14.7.0.0^2,10^.0^4,9^.0^11,15^.0^17,22^]tricosa- 1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dione","12,13-Dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione monohydrate","","- C20 H13 N3 O3 -","- C20 H13 N3 O3 -","- C80 H52 N12 O12 -","4","1","GT3028","Fernandes, José A.; Almeida Paz, Filipe A.; Marques, Joana; Marques, Maria P. M.; Braga, Susana S.","Arcyriaflavin A monohydrate","Acta Crystallographica Section C","2011","67","2","o57","o59","10.1107/S0108270110052741","","","0.71073","MoKα","","0.1123","0.0529","","","0.1186","0.1405","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017982","6.518","0.001","6.95","0.001","4.389","0.001","90","","90","","90","","198.82","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gadolinium ytterbium trifluoride","","- F3 Gd0.81 Yb0.19 -","- F3 Gd0.81 Yb0.19 -","- F12 Gd3.24 Yb0.76 -","4","0.5","KU3037","Vasyliev, Valentyn; Villora, Encarnacion G.; Nakamura, Masaru; Sato, Akira; Shimamura, Kiyoshi","Gadolinium ytterbium trifluoride, Gd~0.81~Yb~0.19~F~3~","Acta Crystallographica Section C","2011","67","2","i7","i9","10.1107/S0108270110049851","","","0.71073","MoKα","","0.0204","0.0197","","","0.0515","0.0519","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017983","7.7597","0.0016","8.4998","0.0017","10.641","0.002","70.98","0.03","87.9","0.03","70.32","0.03","622.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(μ-2-sulfonatobenzoato)bis[triaquagadolinium(III)]]- μ-oxalato]","","- C16 H20 Gd2 O20 S2 -","- C16 H20 Gd2 O20 S2 -","- C16 H20 Gd2 O20 S2 -","1","0.5","LG3047","Pan, Tong-Hen; Huang, Kun-Shan; Huang, Chong-En; Lai, Fu-Long; Huang, Chang-Cang","catena-Poly[[bis(μ-2-sulfonatobenzoato)bis[triaquagadolinium(III)]]-μ-oxalato]","Acta Crystallographica Section C","2011","67","2","m46","m49","10.1107/S0108270111001065","","","0.71073","MoKα","","0.0211","0.0209","","","0.0495","0.0497","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017984","12.4987","0.0019","6.6017","0.0006","11.3732","0.0018","90","","113.585","0.012","90","","860","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-Alaninium semioxalate monohydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","MX3041","Zakharov, Boris A.; Boldyreva, Elena V.","DL-Alaninium semi-oxalate monohydrate","Acta Crystallographica Section C","2011","67","2","o47","o51","10.1107/S0108270110053655","","","0.71073","MoKα","","0.0521","0.0371","","","0.0976","0.1041","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017985","7.16","0.0015","11.688","0.003","17.514","0.004","90","","94.535","0.003","90","","1461.1","0.6","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R)-3-(3-hydroxyphenyl)- N,N,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0277","0.0268","","","0.071","0.0716","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017986","7.16","0.003","11.688","0.005","17.526","0.008","90","","94.57","0.007","90","","1462","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S)-3-(3-hydroxyphenyl)- N,N,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0329","0.0308","","","0.0735","0.0745","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017987","8.8218","0.0006","12.1304","0.0008","14.0031","0.0009","90","","90","","90","","1498.5","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,3S)-3-(3-hydroxyphenyl)- N,N,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0313","0.0297","","","0.0801","0.0813","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017988","8.8101","0.0006","12.1094","0.0008","13.9784","0.0009","90","","90","","90","","1491.29","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3R)-3-(3-hydroxyphenyl)- N,N,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0304","0.0295","","","0.0821","0.0831","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017989","11.06","0.002","22.22","0.004","12.208","0.002","90","","95.87","0.03","90","","2984.4","0.9","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^N:N')bis(ethane-1,2- diol)-di-μ-sulfato-dicopper(II)]","","- C24 H32 Cu2 N4 O14 S2 -","- C24 H32 Cu2 N4 O14 S2 -","- C96 H128 Cu8 N16 O56 S8 -","4","0.5","SF3145","Zhong, Kai-Long; Chen, Li; Chen, Lin","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^N:N')bis(ethane-1,2-diol)di-μ-sulfato-dicopper(II)]","Acta Crystallographica Section C","2011","67","2","m62","m64","10.1107/S0108270110052558","","","0.71073","MoKα","","0.0556","0.0387","","","0.0864","0.0939","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017990","8.1296","0.0015","22.187","0.003","11.152","0.003","90","","102.222","0.018","90","","1965.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-bromophenyl)-1-(5-tert-butyl-1H-pyrazol-3-yl)- 1H-benzimidazole-5-carboxylate","","- C22 H21 Br N4 O2 -","- C22 H21 Br N4 O2 -","- C88 H84 Br4 N16 O8 -","4","1","SK3398","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Methyl 2-(4-bromophenyl)-1-(5-tert-butyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate: a hydrogen-bonded chain of edge-fused centrosymmetric rings","Acta Crystallographica Section C","2011","67","2","o64","o66","10.1107/S0108270110052911","","","0.71073","MoKα","","0.0783","0.0414","","","0.0716","0.0825","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017991","10.7944","0.0002","13.5205","0.0003","14.0573","0.0003","90","","104.238","0.0013","90","","1988.58","0.07","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","benzyl 4-(3-chloro-2-fluorophenyl)-2-methyl-5-oxo-4,5,6,7-tetrahydro- 1H-cyclopenta[b]pyridine-3-carboxylate","","- C23 H19 Cl F N O3 -","- C23 H19 Cl F N O3 -","- C92 H76 Cl4 F4 N4 O12 -","4","1","SK3400","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime; Gündüz, Miyase G.","Two 1,4-dihydropyridine derivatives with potential calcium-channel antagonist activity","Acta Crystallographica Section C","2011","67","2","o80","o84","10.1107/S0108270111003362","","","0.71073","MoKα","","0.0781","0.0475","","","0.1139","0.1299","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017992","11.3696","0.0002","9.2177","0.0002","21.9577","0.0003","90","","92.5683","0.0011","90","","2298.89","0.07","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-pyridylmethyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5- oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C26 H24 F4 N2 O3 -","- C26 H24 F4 N2 O3 -","- C104 H96 F16 N8 O12 -","4","1","SK3400","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime; Gündüz, Miyase G.","Two 1,4-dihydropyridine derivatives with potential calcium-channel antagonist activity","Acta Crystallographica Section C","2011","67","2","o80","o84","10.1107/S0108270111003362","","","0.71073","MoKα","","0.0758","0.0489","","","0.1152","0.1331","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017993","4.8272","0.0017","14.194","0.005","18.883","0.007","90","","91.472","0.007","90","","1293.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-[(Ethane-1,2-diyldioxy)di-o-phenylene]bis(indoline-2,3-dione)","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","SQ3280","Fang, Chao; Ma, Jian-Ping; Wei, Sui; Dong, Yu-Bin","1,1'-[(Ethane-1,2-diyldioxy)di-o-phenylene]bis(indoline-2,3-dione) (L) and a novel [Ag~2~L~2~]^2+^ metallocycle based on coordination-driven Ag—O and Ag—π bonds","Acta Crystallographica Section C","2011","67","2","m35","m38","10.1107/S0108270110054697","","","0.71073","MoKα","","0.1097","0.0651","","","0.1409","0.1604","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017994","10.193","0.002","11.594","0.003","14.22","0.003","111.121","0.003","91.073","0.003","100.819","0.003","1532.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","bis{μ-1,1'-[(ethane-1,2-diyldioxy)di-o-phenylene]bis(indoline- 2,3-dione)}disilver(I) bis(hexafluoridoantimonate)","","- C64 H48 Ag2 F12 N4 O12 Sb2 -","- C64 H48 Ag2 F12 N4 O12 Sb2 -","- C64 H48 Ag2 F12 N4 O12 Sb2 -","1","0.5","SQ3280","Fang, Chao; Ma, Jian-Ping; Wei, Sui; Dong, Yu-Bin","1,1'-[(Ethane-1,2-diyldioxy)di-o-phenylene]bis(indoline-2,3-dione) (L) and a novel [Ag~2~L~2~]^2+^ metallocycle based on coordination-driven Ag—O and Ag—π bonds","Acta Crystallographica Section C","2011","67","2","m35","m38","10.1107/S0108270110054697","","","0.71073","MoKα","","0.0699","0.0525","","","0.1238","0.1342","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017995","9.4516","0.0007","12.5202","0.0012","7.502","0.0006","90","","101.559","0.004","90","","869.75","0.13","90","1","90","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinic acid hydrazide dihydrochloride","3-(azaniumylcarbamoyl)pyridinium dichloride","","- C6 H9 Cl2 N3 O -","- C6 H9 Cl2 N3 O -","- C24 H36 Cl8 N12 O4 -","4","1","UK3027","Kruszynski, Rafal","A structural and theoretical study of intermolecular interactions in nicotinohydrazide dihydrochloride","Acta Crystallographica Section C","2011","67","2","o52","o56","10.1107/S0108270110051644","","","0.71073","MoKα","","0.0253","0.0244","","","0.0644","0.0648","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017996","10.9848","0.0004","13.98","0.0004","13.9802","0.0004","105.649","0.0018","90.352","0.002","93.364","0.002","2063.22","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","ciprofloxacin‒2,2-difluoroethanol (2/3)","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate‒2,2-difluoroethanol (2/3)","","- C40 H48 F8 N6 O9 -","- C40 H48 F8 N6 O9 -","- C80 H96 F16 N12 O18 -","2","1","BI3008","Fabbiani, Francesca P. A.; Arlin, Jean-Baptiste; Buth, Gernot; Dittrich, Birger; Florence, Alastair J.; Herbst-Irmer, Regine; Sowa, Heidrun","Intermolecular interactions, disorder and twinning in ciprofloxacin‒2,2-difluoroethanol (2/3) and ciprofloxacin‒water (3/14.5)","Acta Crystallographica Section C","2011","67","3","o120","o124","10.1107/S0108270111005488","","","0.7","synchrotron","","0.0812","0.0681","","","0.1907","0.2019","","","","","","1.164","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017997","13.876","0.0012","15.876","0.0013","16.528","0.002","115.755","0.007","103.61","0.007","102.325","0.005","2972.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ciprofloxacin‒water (3/14.5)","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate‒water (3/14.5)","","- C51 H83 F3 N9 O23.5 -","- C51 H69 F3 N9 O23.5 -","- C102 H138 F6 N18 O47 -","2","1","BI3008","Fabbiani, Francesca P. A.; Arlin, Jean-Baptiste; Buth, Gernot; Dittrich, Birger; Florence, Alastair J.; Herbst-Irmer, Regine; Sowa, Heidrun","Intermolecular interactions, disorder and twinning in ciprofloxacin‒2,2-difluoroethanol (2/3) and ciprofloxacin‒water (3/14.5)","Acta Crystallographica Section C","2011","67","3","o120","o124","10.1107/S0108270111005488","","","0.71073","MoKα","","0.057","0.0425","","","0.1119","0.1221","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017998","6.3823","0.0007","9.0629","0.0005","19.5457","0.0013","90","","90","","90","","1130.57","0.16","243","2","243","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-propylammonium benzoate","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0612","","","","0.1805","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017999","30.97","0.002","5.8832","0.0004","7.8239","0.0005","90","","99.825","0.002","90","","1404.63","0.16","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","benzylammonium (R)-2-phenylpropyl-1-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0352","","","","0.0861","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018000","8.8979","0.0009","12.0013","0.0008","16.0498","0.0015","100.213","0.005","103.102","0.003","90.652","0.005","1640.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(RS)-1-phenylethylammonium naphthalene-1-carboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0502","","","","0.1347","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018001","12.3249","0.0011","6.0804","0.0006","24.7669","0.0017","90","","95.526","0.005","90","","1847.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","benzylammonium benzoate‒benzoic acid (1/1)","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","0.1166","0.0445","","","0.0917","0.114","","","","","","0.964","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018002","15.3307","0.001","6.3703","0.0003","17.9989","0.0011","90","","114.199","0.002","90","","1603.33","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclopropylammonium benzoate‒benzoic acid (1/1)","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0444","","","","0.11","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018003","10.2478","0.0004","9.6134","0.0004","23.8354","0.0009","90","","90","","90","","2348.17","0.16","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","bis(cyclopropylammonium) ea-cis-cyclohexane-1,4-dicarboxylate‒ ee-trans-cyclohexane-1,4-dicarboxylic acid (1/1)","","- C22 H38 N2 O8 -","- C22 H38 N2 O8 -","- C88 H152 N8 O32 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0353","","","","0.094","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018004","6.7292","0.0016","6.8032","0.0016","19.193","0.005","89.875","0.004","86.747","0.005","84.726","0.004","873.5","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Cytosinium zoledronate trihydrate","4-amino-2-oxo- 2,3-dihydropyrimidin-1-ium 1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonate trihydrate","","- C9 H21 N5 O11 P2 -","- C9 H21 N5 O11 P2 -","- C18 H42 N10 O22 P4 -","2","1","DN3157","Sridhar, Balasubramanian; Ravikumar, Krishnan","Multiple hydrogen bonds in cytosinium zoledronate trihydrate","Acta Crystallographica Section C","2011","67","3","o115","o119","10.1107/S0108270111005191","","","0.71073","MoKα","","0.0649","0.0599","","","0.1398","0.1428","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018005","8.8428","0.0003","11.5331","0.0004","6.0539","0.0002","90","","98.712","0.002","90","","610.28","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper(II) manganese(II) orthophosphate","","- Cu0.5 Mn2.5 O8 P2 -","- Cu0.5 Mn2.5 O8 P2 -","- Cu2 Mn10 O32 P8 -","4","1","FA3246","Bond, Andrew D.; Foghmoes, Søren P. V.; Warner, Terence E.","Copper(II) manganese(II) orthophosphate, Cu~0.5~Mn~2.5~(PO~4~)~2~","Acta Crystallographica Section C","2011","67","3","i21","i23","10.1107/S0108270110054156","","","0.71073","MoKα","","0.0202","0.0189","","","0.0493","0.0497","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018006","16.7421","0.0016","9.7941","0.0008","8.8898","0.0007","90","","93.69","0.02","90","","1454.7","0.2","200","2","200.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclopentanone","cyclopentan-1-one","","- C5 H8 O -","- C5 H8 O -","- C60 H96 O12 -","12","1.5","FG3210","Yufit, Dmitry S.; Howard, Judith A. K.","Cyclopentanone and cyclobutanone","Acta Crystallographica Section C","2011","67","3","o104","o106","10.1107/S0108270111004069","","","0.71073","MoKα","","0.0442","0.0348","","","0.0917","0.099","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018007","15.5022","0.0016","9.0662","0.0009","8.6531","0.0007","90","","85.83","0.03","90","","1212.9","0.2","200","2","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclobutanone","cyclobutan-1-one","","- C4 H6 O -","- C4 H6 O -","- C48 H72 O12 -","12","1.5","FG3210","Yufit, Dmitry S.; Howard, Judith A. K.","Cyclopentanone and cyclobutanone","Acta Crystallographica Section C","2011","67","3","o104","o106","10.1107/S0108270111004069","","","0.71073","MoKα","","0.0482","0.0389","","","0.1112","0.1206","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018008","9.4415","0.0004","9.4415","0.0004","9.1937","0.0008","90","","90","","120","","709.75","0.07","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ternary tetralanthanum trimagnesium tricontazinc","","- La4.27 Mg2.89 Zn30 -","- La4.274 Mg2.8908 Zn30 -","- La4.274 Mg2.8908 Zn30 -","1","0.0416667","FN3072","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","La~4.27~Mg~2.89~Zn~30~, a new structure type with strong positional disorder","Acta Crystallographica Section C","2011","67","3","i13","i16","10.1107/S0108270111002137","","","0.71073","MoKα","","0.0144","0.0132","","","0.048","0.0481","","","","","","1.123","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018009","7.6785","0.0011","24.523","0.003","6.9265","0.001","90","","90","","90","","1304.3","0.3","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","trilanthanum pentacopper heptaselenide","","- Cu4.88 La3 Se7 -","- Cu4.878 La3 Se7 -","- Cu19.512 La12 Se28 -","4","0.5","FN3073","Gulay, L. D.; Daszkiewicz, M.; Strok, O. M.; Pietraszko, A.","Disordered La~3~Cu~4.88~Se~7~","Acta Crystallographica Section C","2011","67","3","i24","i26","10.1107/S0108270111005889","","","0.71073","MoKα","","0.098","0.0407","","","0.0417","0.0514","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018010","19.6476","0.0012","5.2979","0.0003","26.3354","0.0016","90","","106.865","0.003","90","","2623.4","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","1,N^6^-Etheno-2'-deoxytubercidin hemihydrate","7-(2-deoxy-β-D-erythro-pentofuranosyl)-7H-\ imidazo[1,2-c]pyrrolo[2,3-d]pyrimidine hemihydrate (1,N^6^-etheno-2'-deoxytubercidin hemihydrate","","- C26 H30 N8 O7 -","- C26 H30 N8 O7 -","- C104 H120 N32 O28 -","4","1","GD3377","Seela, Frank; Ding, Ping; Leonard, Peter; Eickmeier, Henning; Reuter, Hans","1,N^6^-Etheno-2'-deoxytubercidin hemihydrate","Acta Crystallographica Section C","2011","67","3","o111","o114","10.1107/S0108270111005087","","","0.71073","MoKα","","0.0414","0.0386","","","0.1039","0.1059","","","","","","1.115","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018011","9.3772","0.0003","13.1249","0.0003","15.9198","0.0005","90","","103.085","0.003","90","","1908.45","0.1","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetato-diaqua-μ~2~-oxalato- tetrapraseodymium(III)] dihydrate]","","- C22 H38 O28 Pr4 -","- C22 H38 O28 Pr4 -","- C44 H76 O56 Pr8 -","2","0.5","GD3378","Gutkowski, Karin; Freire, Eleonora; Baggio, Ricardo","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetato-diaqua-μ~2~-oxalato-tetrapraseodymium(III)] dihydrate]","Acta Crystallographica Section C","2011","67","3","m77","m80","10.1107/S0108270111005403","","","0.71073","MoKα","","0.0302","0.0237","","","0.0548","0.0562","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018012","7.0045","0.0014","8.487","0.002","10.057","0.0017","81.1","0.02","86.17","0.02","75.25","0.03","571","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[μ-hydroxido-μ~7~-(4-phosphonatobenzenesulfonato)-ditin(II)]","","- C6 H5 O7 P S Sn2 -","- C6 H5 O7 P S Sn2 -","- C12 H10 O14 P2 S2 Sn4 -","2","1","JZ3200","Maniam, Palanikumar; Stock, Norbert","A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters","Acta Crystallographica Section C","2011","67","3","m73","m76","10.1107/S0108270111005105","","","0.71073","MoKα","","0.0322","0.0258","","","0.0683","0.0705","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018013","10.185","0.008","14.86","0.008","25.61","0.009","90","","90.87","0.02","90","","3876","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","panitite","sodium calcium magnesium tetrakis(phosphate)","","- Ca1.5 Mg12.5 Na8 O48 P12 -","- Ca1.5 Mg12.5 Na8 O48 P12 -","- Ca6 Mg50 Na32 O192 P48 -","4","1","KU3038","Jerbi, Hasna; Hidouri, Mourad; Rzeigui, Mohamed; Ben Amara, Mongi","Structure and ^31^P NMR spectroscopy of a new phosphate, Na~8~Ca~1.5~Mg~12.5~(PO~4~)~12~","Acta Crystallographica Section C","2011","67","3","i17","i20","10.1107/S0108270110054521","","","0.71073","MoKα","","0.0702","0.0508","","","0.1263","0.1328","","","","","","1.044","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018014","8.4023","0.0014","9.4893","0.0015","15.21","0.003","87.02","0.004","83.192","0.004","77.714","0.004","1176.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","N-benzyl-2-[(7-hydroxy-3',3'-dimethyl-3'H-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]hydrazinecarbothioamide","1-benzyl-3-({7'-hydroxy-3,3-dimethylspiro[2-benzofuran-1,2'-chromene]-8'- ylmethylidene}amino)thiourea","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C54 H50 N6 O6 S2 -","2","1","LG3049","Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A.","Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'H-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde","Acta Crystallographica Section C","2011","67","3","o85","o88","10.1107/S0108270111002836","","","0.71073","MoKα","","0.1334","0.0592","","","0.1202","0.1391","","","","","","1.154","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018015","8.591","0.002","17.272","0.005","17.569","0.005","90","","93.265","0.005","90","","2602.7","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N'-[(7-Hydroxy-3',3'-dimethyl-3'H-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]-4-methylbenzohydrazide acetone monosolvate","N'-{7'-hydroxy-3,3-dimethyl-3H-spiro[2-benzofuran-1,2'- chromene]-8'-ylmethylidene}-4-methylbenzohydrazide acetone monosolvate","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","1","LG3049","Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A.","Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'H-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde","Acta Crystallographica Section C","2011","67","3","o85","o88","10.1107/S0108270111002836","","","0.71073","MoKα","","0.1015","0.0484","","","0.0807","0.0959","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018016","8.9276","0.0003","11.3625","0.0004","16.5006","0.0006","90","","94.456","0.001","90","","1668.76","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-Geodin","(2R)-methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro[benzofuran-2,1'- cyclohexa-2',5'-diene]-2'-carboxylate","","- C17 H12 Cl2 O7 -","- C17 H12 Cl2 O7 -","- C68 H48 Cl8 O28 -","4","2","LG3050","Rønnest, Mads H.; Nielsen, Morten T.; Leber, Blanka; Mortensen, Uffe H.; Krämer, Alwin; Clausen, Mads H.; Larsen, Thomas O.; Harris, Pernille","(+)-Geodin from Aspergillus terreus","Acta Crystallographica Section C","2011","67","3","o125","o128","10.1107/S0108270111005816","","","0.71073","MoKα","","0.0587","0.0527","","","0.1381","0.1454","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018017","9.199","0.0003","13.9977","0.0006","17.9153","0.0007","100.962","0.002","97.628","0.002","105.265","0.002","2143.78","0.15","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","4-Aminopyridinium 2-(anthracen-9-yl)-3-oxo-3H-inden-1-olate monohydrate","","- C56 H42 N4 O5 -","- C56 H42 N4 O5 -","- C112 H84 N8 O10 -","2","1","LN3147","Gainsford, Graeme J.; Ashraf, Mohamed; Bhuiyan, M. Delower H.; Kay, Andrew J.","4-Aminopyridinium 2-(anthracen-9-yl)-3-oxo-3H-inden-1-olate monohydrate","Acta Crystallographica Section C","2011","67","3","o107","o110","10.1107/S0108270111004951","","","0.71073","MoKα","","0.0509","0.0443","","","0.0941","0.0974","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018018","11.4071","0.0014","6.475","0.0008","16.961","0.002","90","","101.707","0.002","90","","1226.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","TIQdiphenylmethoxy","(1R,3S)-6,7-dimethoxy-3-(methoxydiphenylmethyl)-1-phenyl- 1,2,3,4-tetrahydroisoquinoline","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.0528","0.0429","","","0.1025","0.1084","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018019","11.045","0.01","17.008","0.015","18.489","0.015","90","","105.287","0.015","90","","3350","5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-BenzylTIQdiphenyltrimethylsilyl","(1R,3S)-2-benzyl-3-[diphenyl(trimethylsiloxy)methyl]- 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C40 H43 N O3 Si -","- C40 H43 N O3 Si -","- C160 H172 N4 O12 Si4 -","4","2","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.1025","0.0565","","","0.1072","0.1241","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018020","22.271","0.005","18.97","0.004","15.61","0.003","90","","132.79","0.03","90","","4840","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[P,P-di-tert-butyl-N-(di-tert- butylphosphorothioyl)phosphinimidothioato-κS]sulfur(II) toluene solvate","5,13-dibutyl-7,7,11,11-tetramethyl-8,9,10-trithia-6,12-diaza-5λ^5^,7λ^5^- diphospha-11λ^5^-phospha-13λ^5^-phosphaheptadeca-6,11-diene-5,13-dithione toluene solvate","","- C39 H80 N2 P4 S5 -","- C39 H80 N2 P4 S5 -","- C156 H320 N8 P16 S20 -","4","0.5","SF3147","Ritch, Jamie S.; Chivers, Tristram","A sulfur(II) complex of a dithioimidodiphosphinate","Acta Crystallographica Section C","2011","67","3","o89","o91","10.1107/S0108270111003064","","","0.71073","MoKα","","0.1099","0.0517","","","0.1008","0.1217","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018021","7.2966","0.0015","11.184","0.002","12.004","0.002","112.99","0.03","90.67","0.03","97.44","0.03","892.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)bismuthate(III)] dihydrate","","- C28 H28 Bi2 Co N4 O24 -","- C28 H28 Bi2 Co N4 O24 -","- C28 H28 Bi2 Co N4 O24 -","1","0.5","SQ3274","Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H.","Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate","Acta Crystallographica Section C","2011","67","3","m65","m68","10.1107/S0108270110053497","","","0.71073","MoKα","","0.0268","0.0244","","","0.062","0.0634","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018022","7.2615","0.0015","11.21","0.002","12.014","0.002","112.96","0.03","90.79","0.03","97.33","0.03","891","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)nickelate(III)] dihydrate","","- C28 H28 Bi2 N4 Ni O24 -","- C28 H28 Bi2 N4 Ni O24 -","- C28 H28 Bi2 N4 Ni O24 -","1","0.5","SQ3274","Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H.","Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate","Acta Crystallographica Section C","2011","67","3","m65","m68","10.1107/S0108270110053497","","","0.71073","MoKα","","0.0263","0.0212","","","0.0477","0.0502","","","","","","1.055","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018023","14.163","0.0005","17.5777","0.0006","11.2915","0.0004","90","","104.595","0.002","90","","2720.34","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","hemi(4,4'-bipyridinium) tris(5-chlorothiophene-2-carboxylato)dioxidouranate(VI) monohydrate","","- C40 H26 Cl6 N2 O18 S6 U2 -","- C40 H26 Cl6 N2 O18 S6 U2 -","- C80 H52 Cl12 N4 O36 S12 U4 -","2","0.5","SQ3279","Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas","Supramolecular architectures of two novel organic‒inorganic hybrid materials containing identical monomeric uranyl units","Acta Crystallographica Section C","2011","67","3","m69","m72","10.1107/S0108270111004227","","","0.71073","MoKα","","0.0927","0.0373","","","0.0713","0.087","","","","","","0.994","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2018024","14.5189","0.0002","18.1169","0.0003","11.1399","0.0002","90","","97.123","0.001","90","","2907.6","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","hemi[4,4'-(ethane-1,2-diyl)dipyridinium]tris(5-chlorothiophene-2-carboxylato)dioxidouranate(VI) monohydrate","","- C42 H30 Cl6 N2 O18 S6 U2 -","- C42 H30 Cl6 N2 O18 S6 U2 -","- C84 H60 Cl12 N4 O36 S12 U4 -","2","0.5","SQ3279","Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas","Supramolecular architectures of two novel organic‒inorganic hybrid materials containing identical monomeric uranyl units","Acta Crystallographica Section C","2011","67","3","m69","m72","10.1107/S0108270111004227","","","0.71073","MoKα","","0.0801","0.0399","","","0.0854","0.0984","","","","","","1.007","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2018025","11.4692","0.0005","11.8976","0.0005","15.1818","0.0007","92.261","0.003","109.043","0.003","112.911","0.003","1770.51","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(Aqua-2κO)bis(2,2'-bipyridine-1κ^2^N,N'){μ-N- [3-(dimethylamino)propyl]-N'-(2-oxidophenyl)oxamidato(3-)- 1:2κ^2^O,O':κ^4^O'',N,N',N''} copper(II)nickel(II) perchlorate","","- C33 H34 Cl Cu N7 Ni O8 -","- C33 H34 Cl Cu N7 Ni O8 -","- C66 H68 Cl2 Cu2 N14 Ni2 O16 -","2","1","BG3135","Yue, Xi-Teng; Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","(Aqua-2κO)bis(2,2'-bipyridine-1κ^2^N,N'){μ-N-[3-(dimethylamino)propyl]-N'-(2-oxidophenyl)oxamidato(3{-})-1:2κ^2^O,O':κ^4^O'',N,N',N''}copper(II)nickel(II) perchlorate","Acta Crystallographica Section C","2011","67","4","m115","m118","10.1107/S0108270111008705","","","0.71073","MoKα","","0.0992","0.0491","","","0.1104","0.131","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018026","9.934","0.002","10.069","0.002","11.627","0.002","68.146","0.003","88.758","0.003","62.741","0.003","943.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-2-{5-[(pyridin-4-ylmethyl)sulfanyl]-1,3,4-oxadiazol- 2-yl}phenolato)bis[(acetylacetonato)copper(II)]","","- C38 H34 Cu2 N6 O8 S2 -","- C38 H34 Cu2 N6 O8 S2 -","- C38 H34 Cu2 N6 O8 S2 -","1","0.5","BM3100","Xiao, Jing; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Bis(μ-2-{5-[(pyridin-4-ylmethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}phenolato)bis[(acetylacetonato)copper(II)]: a novel binuclear metallocycle","Acta Crystallographica Section C","2011","67","4","m90","m92","10.1107/S0108270111006640","","","0.71073","MoKα","","0.0601","0.0488","","","0.1161","0.1238","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018027","14.2694","0.0008","16.5639","0.0008","7.2237","0.0004","90","","90","","90","","1707.37","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","","- C18 H20 O10 -","- C18 H20 O10 -","- C72 H80 O40 -","4","0.5","EG3069","Thébault, Frédéric; Öhrström, Lars; Haukka, Matti","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate: a new form of an important starting material for supramolecular chemistry and covalent organic frameworks","Acta Crystallographica Section C","2011","67","4","o143","o145","10.1107/S0108270111002988","","","0.71073","MoKα","","0.1028","0.0495","","","0.1075","0.1298","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018028","17.45","0.01","15.48","0.008","12.636","0.007","90","","118.545","0.007","90","","2998","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[(μ~2~-benzene-1,4-dicarboxylato){μ~2~-1,2-bis[2-(1H-1,3- imidazol-1-ylmethyl)phenoxy]ethane}cadmium(II)] dihydrate]","","- C30 H30 Cd N4 O8 -","- C30 H30 Cd N4 O8 -","- C120 H120 Cd4 N16 O32 -","4","0.5","EM3039","Yuan, Ning-Ning; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Two threefold interpenetrated two-dimensional frameworks based on a flexible imidazole-containing ligand and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2011","67","4","m119","m122","10.1107/S0108270111009383","","","0.71073","MoKα","","0.0628","0.0397","","","0.0876","0.097","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018029","17.612","0.003","14.896","0.003","12.711","0.003","90","","119.724","0.003","90","","2895.9","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[(μ~2~-benzene-1,4-dicarboxylato){μ~2~-1,2-bis[2-(1H-1,3- imidazol-1-ylmethyl)phenoxy]ethane}cobalt(II)] dihydrate]","","- C30 H30 Co N4 O8 -","- C30 H30 Co N4 O8 -","- C120 H120 Co4 N16 O32 -","4","0.5","EM3039","Yuan, Ning-Ning; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Two threefold interpenetrated two-dimensional frameworks based on a flexible imidazole-containing ligand and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2011","67","4","m119","m122","10.1107/S0108270111009383","","","0.71073","MoKα","","0.0748","0.0523","","","0.1175","0.1271","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018030","4.6886","0.0001","14.4501","0.0003","34.788","0.0007","90","","90","","90","","2356.91","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-acetamido-2-deoxy-β-D-glucopyranoside dihydrate","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C72 H152 N8 O56 -","8","2","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-D-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-D-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0525","0.0425","","","0.1045","0.1105","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018031","4.5374","0.0005","15.8837","0.0016","6.8993","0.0007","90","","100.185","0.004","90","","489.4","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-formamido-2-deoxy-β-D-glucopyranoside","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C16 H30 N2 O12 -","2","1","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-D-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-D-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0271","0.0271","","","0.0703","0.0703","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018032","6.2597","0.0006","10.482","0.0011","6.4281","0.0006","90","","98.134","0.004","90","","417.53","0.07","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-dibromo-2,5-dimethylbenzene","","- C8 H8 Br2 -","- C8 H8 Br2 -","- C16 H16 Br4 -","2","0.5","GD3380","Jones, Peter G.; Kuś, Piotr","A new polymorph of 1,4-dibromo-2,5-dimethylbenzene: H···Br and Br···π versus Br···Br interactions","Acta Crystallographica Section C","2011","67","4","o131","o133","10.1107/S0108270111008742","","","0.71073","MoKα","","0.0198","0.0187","","","0.0504","0.0508","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018033","7.7841","0.0002","16.3043","0.0004","18.2533","0.0004","90","","93.884","0.001","90","","2311.28","0.1","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[4'-(4-bromophenyl)-2,2':6',2''- terpyridine]chlorido(trifluoromethanesulfonato)copper(II)","","- C22 H14 Br Cl Cu F3 N3 O3 S -","- C22 H14 Br Cl Cu F3 N3 O3 S -","- C88 H56 Br4 Cl4 Cu4 F12 N12 O12 S4 -","4","1","GG3247","Chenneberg, Ludwig; Ferreira, Janaina G.; Hanan, Garry S.","Supramolecular interactions in a copper(II) 4'-(4-bromophenyl)-2,2':6',2''-terpyridine complex","Acta Crystallographica Section C","2011","67","4","m81","m84","10.1107/S0108270111004641","","","1.54178","CuKα","","0.0276","0.0256","","","0.0719","0.0731","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018034","9.7061","0.0015","17.855","0.003","10.4555","0.0016","90","","90","","90","","1812","0.5","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","tert-butylarsenium(V) tri-μ-chlorido-bis[trichloridotitanium(IV)]","","- C4 H12 As Cl9 Ti2 -","- C4 H12 As Cl9 Ti2 -","- C16 H48 As4 Cl36 Ti8 -","4","0.5","GG3254","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands","Acta Crystallographica Section C","2011","67","4","m96","m99","10.1107/S0108270111006639","","","0.71073","MoKα","","0.0638","0.0407","","","0.0766","0.0809","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018035","10.4991","0.0002","10.7921","0.0003","21.5971","0.0006","81.21","0.001","83.017","0.002","67.448","0.001","2228.12","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","bis[bromidotriphenylarsenium(V)] di-μ-bromido-μ-oxido-bis[tribromidotitanium(IV)]","","- C36 H30 As2 Br10 O Ti2 -","- C36 H30 As2 Br10 O Ti2 -","- C72 H60 As4 Br20 O2 Ti4 -","2","1","GG3254","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands","Acta Crystallographica Section C","2011","67","4","m96","m99","10.1107/S0108270111006639","","","0.71073","MoKα","","0.0788","0.05","","","0.0896","0.1011","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018036","5.0936","0.0008","9.832","0.0013","12.8114","0.0014","73.952","0.001","78.679","0.001","83.706","0.002","603.55","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate]","","- C16 H20 Cu2 Mg N2 O22 -","- C16 H20 Cu2 Mg N2 O22 -","- C16 H20 Cu2 Mg N2 O22 -","1","0.5","GT3029","Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; Ma, De-Yun","catena-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate]","Acta Crystallographica Section C","2011","67","4","m105","m107","10.1107/S0108270111008869","","","0.71073","MoKα","","0.0475","0.0411","","","0.1056","0.1113","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018037","6.8506","0.0001","10.521","0.001","12.6995","0.0002","90","","98.773","0.002","90","","904.61","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]","","- C4 H4 Cr O10 Rb -","- C4 H4 Cr O10 Rb -","- C16 H16 Cr4 O40 Rb4 -","4","1","JZ3199","Kherfi, Hamza; Hamadène, Malika; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]: a new supramolecular isomer","Acta Crystallographica Section C","2011","67","4","m85","m89","10.1107/S0108270111005646","","","0.71073","MoKα","","0.0198","0.0163","","","0.0432","0.0438","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018038","11.6024","0.0006","14.0371","0.0007","17.202","0.0009","90","","126.97","0.001","90","","2238.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ~2~-acetato-diacetatodi-μ~3~-hydroxido-tetrakis[piperidinecopper(II)] dihydrate","","- C32 H68 Cu4 N4 O16 -","- C32 H68 Cu4 N4 O16 -","- C64 H136 Cu8 N8 O32 -","2","0.5","JZ3201","Klein, Johannes E. M. N.; Thatcher, Robert J.; Whitwood, Adrian C.; Taylor, Richard J. K.","Tetra-μ~2~-acetato-diacetatodi-μ~3~-hydroxido-tetrakis[piperidinecopper(II)] dihydrate","Acta Crystallographica Section C","2011","67","4","m108","m110","10.1107/S0108270111007918","","","0.71073","MoKα","","0.0269","0.0239","","","0.0652","0.0671","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018039","18.604","0.004","5.5723","0.0006","11.27","0.002","90","","124.192","0.013","90","","966.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","L-cysteinium semioxalate","L-cysteinium semioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C20 H36 N4 O24 S4 -","4","1","KU3041","Minkov, Vasily S.; Boldyreva, Elena V.","L-Cysteinium semioxalate: a new monoclinic polymorph or a hydrate?","Acta Crystallographica Section C","2011","67","4","o139","o142","10.1107/S0108270111009760","","","0.71073","MoKα","","0.0565","0.0357","","","0.082","0.0926","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018040","19.0103","0.0009","15.7378","0.0007","7.6394","0.0004","90","","90","","90","","2285.56","0.19","220","2","220","","","","","","","","","5","P n m a","-P 2ac 2n","62","","cis-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","0.5","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of cis-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0536","0.0385","","","0.0951","0.1051","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018041","18.9529","0.0009","15.7268","0.0008","7.4934","0.0004","90","","90","","90","","2233.5","0.2","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","1","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of cis-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0269","0.0234","","","0.0441","0.045","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018042","9.1971","0.0006","9.8999","0.0006","11.0409","0.0007","90","","113.223","0.0009","90","","923.83","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tu296","trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)‒ trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (5/1)","","- C20 H22 Cu0.83 O4 Pd0.17 -","- C20 H22 Cu0.834 O4 Pd0.166 -","- C40 H44 Cu1.668 O8 Pd0.332 -","2","0.5","OV3001","Ho, Douglas M.; Zdilla, Michael J.","trans-Bis(hinokitiolato)copper(II) trans-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations","Acta Crystallographica Section C","2011","67","4","m100","m104","10.1107/S0108270111007372","","","0.71073","MoKα","","0.0289","0.0225","","","0.0583","0.0624","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018043","9.1703","0.0012","9.8475","0.0012","10.985","0.0014","90","","112.681","0.0019","90","","915.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tu369","trans-Bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (3/2)","","- C20 H22 Cu0.6 O4 Pd0.4 -","- C20 H22 Cu0.601 O4 Pd0.399 -","- C40 H44 Cu1.202 O8 Pd0.798 -","2","0.5","OV3001","Ho, Douglas M.; Zdilla, Michael J.","trans-Bis(hinokitiolato)copper(II) trans-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations","Acta Crystallographica Section C","2011","67","4","m100","m104","10.1107/S0108270111007372","","","0.71073","MoKα","","0.0243","0.0187","","","0.044","0.0462","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018044","12.9108","0.0008","10.5408","0.0005","10.3022","0.0007","90","","94.016","0.006","90","","1398.59","0.15","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,4-Dioxan-2-yl)diphenylmethanol","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","OV3002","Hsiao, Tomi; Buchanan, Robert M.; Mashuta, Mark S.","Racemic (1,4-dioxan-2-yl)diphenylmethanol","Acta Crystallographica Section C","2011","67","4","o129","o130","10.1107/S0108270111008419","","","1.5418","CuKα","","0.0356","0.0299","","","0.0681","0.0704","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018045","24.458","0.005","13.672","0.003","16.588","0.003","90","","118.07","0.03","90","","4894","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-N,N'-bis(quinolin-8-yl)pyridine-2,6- dicarboxamido]dizinc(II) dichloromethane disolvate","","- C52 H34 Cl4 N10 O4 Zn2 -","- C52 H34 Cl4 N10 O4 Zn2 -","- C208 H136 Cl16 N40 O16 Zn8 -","4","0.5","SF3146","Xu, Hui-Hua; Tao, Xian; Li, Yue-Qin; Shen, Ying-Zhong; Wei, Yan-Hong","Bis[μ-N,N'-bis(quinolin-8-yl)pyridine-2,6-dicarboxamido]dizinc(II) dichloromethane disolvate","Acta Crystallographica Section C","2011","67","4","m93","m95","10.1107/S0108270111006974","","","0.71073","MoKα","","0.0943","0.0531","","","0.1154","0.1334","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018046","6.8003","0.0003","11.3961","0.0005","16.1548","0.0007","90","","92.968","0.002","90","","1250.27","0.09","87","2","87","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pipzH2(2+)cdo(2-).H2O","piperazine-1,4-diium 4-oxo-4H-pyran-2,6-dicarboxylate monohydrate","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","SK3402","Ghadermazi, Mohammad; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar; Rostami, Shahideh","Statistically disordered short hydrogen bonds in (pipzH~2~)(cdoH)~2~ and a comparison with (pipzH~2~)(cdo)·H~2~O (pipz is piperazine and cdoH~2~ is chelidonic acid)","Acta Crystallographica Section C","2011","67","4","o134","o138","10.1107/S0108270111008110","","","0.71073","MoKα","","0.0387","0.035","","","0.0966","0.0989","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018047","6.788","0.0003","8.065","0.0004","8.5675","0.0004","90.377","0.002","94.11","0.002","104.538","0.003","452.7","0.04","87","2","87","2","","","","","","","","4","P -1","-P 1","2","(pipH~2~)(cdoH)~2~","piperazine-1,4-diium bis(6-carboxy-4-oxo-4H-pyran-2-carboxylate)","","- C18 H18 N2 O12 -","- C18 H18 N2 O12 -","- C18 H18 N2 O12 -","1","0.5","SK3402","Ghadermazi, Mohammad; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar; Rostami, Shahideh","Statistically disordered short hydrogen bonds in (pipzH~2~)(cdoH)~2~ and a comparison with (pipzH~2~)(cdo)·H~2~O (pipz is piperazine and cdoH~2~ is chelidonic acid)","Acta Crystallographica Section C","2011","67","4","o134","o138","10.1107/S0108270111008110","","","0.71073","MoKα","","0.0328","0.0313","","","0.0909","0.0923","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018048","10.5173","0.0002","17.5635","0.0003","19.4889","0.0004","90","","104.878","0.002","90","","3479.31","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^- tetrasulfido)ditungsten(V)","","- C23 H42 B N7 S8 W2 -","- C23 H42 B N7 S8 W2 -","- C92 H168 B4 N28 S32 W8 -","4","1","BI3009","Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca","Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with Z' = 1 and 2","Acta Crystallographica Section C","2011","67","5","m149","m153","10.1107/S0108270111013035","","","0.71073","MoKα","","0.0501","0.0364","","","0.0944","0.0977","","","","","","1.09","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018049","17.8602","0.001","18.8742","0.001","20.6188","0.001","90","","90.343","0.005","90","","6950.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^- tetrasulfido)ditungsten(V)","","- C23 H42 B N7 S8 W2 -","- C23 H42 B N7 S8 W2 -","- C184 H336 B8 N56 S64 W16 -","8","2","BI3009","Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca","Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with Z' = 1 and 2","Acta Crystallographica Section C","2011","67","5","m149","m153","10.1107/S0108270111013035","","","0.71073","MoKα","","0.1375","0.0662","","","0.1475","0.1711","","","","","","0.972","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018050","9.5909","0.0001","9.5909","0.0001","33.2924","0.0009","90","","90","","90","","3062.41","0.09","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","trans-Dichloridobis(4,8-dimethyl-2-phenyl-2- phosphabicyclo[3.3.1]nonane-κP)platinum(II)","","- C32 H46 Cl2 P2 Pt -","- C32 H46 Cl2 P2 Pt -","- C128 H184 Cl8 P8 Pt4 -","4","0.5","BI3013","Bungu, Peter N.; Kirsten, Leo; Otto, Stefanus","trans-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-κP)platinum(II)","Acta Crystallographica Section C","2011","67","5","m154","m156","10.1107/S0108270111013242","","","0.71073","MoKα","","0.0553","0.042","","","0.0645","0.0674","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:00",""
"2018051","6.9357","0.0007","7.3036","0.0007","8.8768","0.0008","73.295","0.001","82.707","0.001","88.071","0.001","427.2","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-N,N'-bis(4-nitrobenzylidene)benzene- 1,4-diamine","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","1","0.5","BM3102","Collas, Alain; Zeller, Matthias; Blockhuys, Frank","Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine","Acta Crystallographica Section C","2011","67","5","o171","o174","10.1107/S0108270111010109","","","0.71073","MoKα","","0.0496","0.0418","","","0.101","0.106","","","","","","1.08","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018052","6.567","0.001","5.0227","0.0007","26.723","0.005","90","","102.558","0.004","90","","860.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-N,N'-bis(4-nitrobenzylidene)benzene- 1,4-diamine","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C40 H28 N8 O8 -","2","0.5","BM3102","Collas, Alain; Zeller, Matthias; Blockhuys, Frank","Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine","Acta Crystallographica Section C","2011","67","5","o171","o174","10.1107/S0108270111010109","","","0.71073","MoKα","","0.0677","0.0398","","","0.0927","0.1057","","","","","","1.016","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018053","9.5741","0.001","9.9089","0.0011","11.3324","0.0012","99.957","0.006","90.886","0.007","116.562","0.006","941.87","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Benzyladeninium p-toluene sulfonate","6-benzylamino-7H-purin-3-ium p-toluenesulfonate","","- C19 H19 N5 O3 S -","- C19 H19 N5 O3 S -","- C38 H38 N10 O6 S2 -","2","1","BM3103","Tamilselvi, Duraisamy; Muthiah, P. Thomas","Supramolecular patterns in benzyladeninium p-toluenesulfonate","Acta Crystallographica Section C","2011","67","5","o192","o194","10.1107/S0108270111013424","","","0.71073","MoKα","","0.1199","0.0584","","","0.1702","0.2104","","","","","","0.97","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018054","26.7321","0.0005","26.7321","0.0005","10.87","0.0003","90","","90","","120","","6727.1","0.3","100","1","100","1","","","","","","","","3","R -3 :H","-R 3","148","racemic guest-free Dianin's compound","4-(4-hydroxyphenyl)-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.039","0.0371","","","0.1227","0.1261","","","","","","1.002","","","","has coordinates,has Fobs","288599","2024-01-02","06:49:37",""
"2018055","10.23394","0.00011","10.25106","0.0001","13.47563","0.00013","90","","90","","90","","1413.71","0.02","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dianin's amine","(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0265","0.0264","","","0.0713","0.0715","","","","","","1.003","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018056","10.6043","0.0006","10.4104","0.0005","13.4126","0.0006","90","","90","","90","","1480.68","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Thiadianin's amine","(S)-4-(4-Aminophenyl)-2,2,4-trimethylthiachroman","","- C18 H21 N S -","- C18 H21 N S -","- C72 H84 N4 S4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0276","0.0272","","","0.0693","0.0697","","","","","","1.004","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018057","11.298","0.002","11.346","0.002","18.391","0.003","101.66","0.01","93.46","0.01","115.55","0.01","2053.8","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","di-μ-iodido-1:1'κ^4^I-bis[tri-μ~3~-imido-1:2:3κ^3^N; 1:2:4κ^3^N;1:3:4κ^3^N-μ~3~-nitrido-2:3:4κ^3^N- tris[2,3,4(η^5^)-pentamethylcyclopentadienyl](pyridine-1κN)- tetrahedro-potassiumtrititanium(IV)]","","- C70 H106 I2 K2 N10 Ti6 -","- C70 H106 I2 K2 N10 Ti6 -","- C70 H106 I2 K2 N10 Ti6 -","1","0.5","DT3001","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","A new double-cube nitride complex containing titanium and potassium","Acta Crystallographica Section C","2011","67","5","m157","m159","10.1107/S0108270111012686","","","0.71073","MoKα","","0.0895","0.047","","","0.1053","0.1192","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018058","13.128","0.003","9.493","0.003","15.412","0.004","90","","113.57","0.03","90","","1760.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diammonium hexakis(thiocyanato-κN)rhenate(IV) dimethyl sulfone tetrasolvate","","- C14 H32 N8 O8 Re S10 -","- C14 H32 N8 O8 Re S10 -","- C28 H64 N16 O16 Re2 S20 -","2","0.5","FA3250","Kochel, Andrzej; Hołyńska, Małgorzata","Diammonium hexakis(thiocyanato-κN)rhenate(IV) dimethyl sulfone tetrasolvate","Acta Crystallographica Section C","2011","67","5","m134","m136","10.1107/S0108270111010535","","","0.71073","MoKα","","0.0318","0.0233","","","0.0555","0.0571","","","","","","1.004","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018059","6.7195","0.0005","7.1118","0.0004","19.2802","0.0012","80.061","0.005","81.798","0.006","83.04","0.006","893.83","0.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","sodium bis(6-carboxy-1-hydroxy-3-oxo-1,3-dihydro-2,1-benzoxaborol-1-yl)oxidanium","","- C16 H15 B2 Na O13 -","- C16 H15 B2 Na O13 -","- C32 H30 B4 Na2 O26 -","2","1","FN3076","Simmons, Scott; Fratini, Albert; Benin, Vladimir","A sodium salt of the dimer of boronoterephthalic acid anhydride","Acta Crystallographica Section C","2011","67","5","m123","m125","10.1107/S0108270111008195","","","1.54178","CuKα","","0.0597","0.0456","","","0.1035","0.1114","","","","","","1.06","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018060","9.4999","0.0015","11.9323","0.0019","15.247","0.003","88.658","0.003","76.925","0.003","89.38","0.003","1683","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4-di-tert-butyl-6-[N-(2,6-diisopropylphenyl)- P,P-diphenylphosphorimidoyl]phenol","","- C38 H48 N O P -","- C38 H48 N O P -","- C76 H96 N2 O2 P2 -","2","1","FN3077","Lee, Jong-Dae; Suh, Il-Hwan; Kang, Sang Ook","Multiple intramolecular hydrogen bonds in 2,4-di-tert-butyl-6-[N-(2,6-diisopropylphenyl)-P,P-diphenylphosphorimidoyl]phenol","Acta Crystallographica Section C","2011","67","5","o151","o153","","","","0.71073","MoKα","","0.1221","0.053","","","0.1272","0.1598","","","","","","1.018","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"2018061","9.808","0.004","6.555","0.003","22.018","0.009","90","","93.259","0.004","90","","1413.3","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-5-(2-phenoxyethoxy)phthalonitrile","4-Chloro-5-(2-phenoxyethoxy)benzene-1,2-dicarbonitrile","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","GD3379","Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka","The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","Acta Crystallographica Section C","2011","67","5","o154","o156","10.1107/S0108270111008675","","","0.71073","MoKα","","0.043","0.0345","","","0.0821","0.0874","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018062","5.8272","0.0013","13.319","0.003","19.38","0.004","90","","96.544","0.002","90","","1494.3","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","4-chloro-5-[2-(pentafluorophenoxy)ethoxy]benzene-1,2-dicarbonitrile","","- C16 H6 Cl F5 N2 O2 -","- C16 H6 Cl F5 N2 O2 -","- C64 H24 Cl4 F20 N8 O8 -","4","1","GD3379","Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka","The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","Acta Crystallographica Section C","2011","67","5","o154","o156","10.1107/S0108270111008675","","","0.71073","MoKα","","0.0425","0.0336","","","0.0821","0.0876","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018063","9.655","0.004","10.017","0.004","10.68","0.004","107.082","0.005","90.384","0.006","118.537","0.005","854","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquabis(2,6-diamino-7H-purin-1-ium-κN^9^)bis(homophthalato- κO)nickel(II) tetrahydrate","diaquabis(2,6-diamino-7H-purin-1-ium-κN^9^)bis[2-(2- carboxylatophenyl)acetato-κO]nickel(II) tetrahydrate","","- C28 H38 N12 Ni O14 -","- C28 H34 N12 Ni O14 -","- C28 H34 N12 Ni O14 -","1","0.5","GD3385","Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-κN^9^)bis(homophthalato-κO)nickel(II) tetrahydrate and the cobalt(II) analogue","Acta Crystallographica Section C","2011","67","5","m169","m172","10.1107/S0108270111014521","","","0.71073","MoKα","","0.0383","0.0354","","","0.0952","0.0973","","","","","","1.094","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018064","9.651","0.002","10.045","0.002","10.661","0.002","107.4","0.004","90.371","0.004","118.019","0.003","857.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquabis(2,6-diamino-7H-purin-1-ium-κN^9^)bis(homophthalato- κO)cobalt(II) tetrahydrate","diaquabis(2,6-diamino-7H-purin-1-ium-κN^9^)bis[2-(2- carboxylatophenyl)acetato-κO]cobalt(II) tetrahydrate","","- C28 H38 Co N12 O14 -","- C28 H34 Co N12 O14 -","- C28 H34 Co N12 O14 -","1","0.5","GD3385","Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-κN^9^)bis(homophthalato-κO)nickel(II) tetrahydrate and the cobalt(II) analogue","Acta Crystallographica Section C","2011","67","5","m169","m172","10.1107/S0108270111014521","","","0.71073","MoKα","","0.0766","0.0508","","","0.1123","0.1263","","","","","","0.996","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018065","8.15051","0.00015","17.4091","0.0003","19.7447","0.0004","90","","90","","90","","2801.64","0.09","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","","- C26 H24 Cu2 N6 O11 -","- C26 H24 Cu2 N6 O11 -","- C104 H96 Cu8 N24 O44 -","4","1","GG3255","Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","Acta Crystallographica Section C","2011","67","5","m130","m133","10.1107/S0108270111011048","","","0.71073","MoKα","","0.0427","0.0292","","","0.0527","0.0542","","","","","","0.911","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018066","9.436","0.005","12.978","0.005","18.091","0.005","107.903","0.005","96.269","0.005","95.225","0.005","2077.3","1.5","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","trans-carbonylchloridobis(ferrocenyldiphenylphosphane- κP)iridium(I) dichloromethane monosolvate","","- C46 H40 Cl3 Fe2 Ir O P2 -","- C46 H40 Cl3 Fe2 Ir O P2 -","- C92 H80 Cl6 Fe4 Ir2 O2 P4 -","2","1","GG3257","Muller, Alfred; Otto, Stefanus","trans-Carbonylchloridobis(ferrocenyldiphenylphosphane-κP)rhodium(I) dichloromethane monosolvate and trans-carbonylchloridobis(ferrocenyldiphenylphosphane-κP)iridium(I) dichloromethane monosolvate","Acta Crystallographica Section C","2011","67","5","m165","m168","10.1107/S0108270111014107","","","0.71069","MoKα","","0.0987","0.0475","","","0.0938","0.1064","","","","","","0.913","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018067","9.452","0.0019","12.989","0.003","18.067","0.004","108.05","0.03","96.38","0.03","95.21","0.03","2077.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-Carbonylchloridobis(ferrocenyldiphenylphosphane- κP)rhodium(I) dichloromethane monosolvate","","- C46 H40 Cl3 Fe2 O P2 Rh -","- C46 H40 Cl3 Fe2 O P2 Rh -","- C92 H80 Cl6 Fe4 O2 P4 Rh2 -","2","1","GG3257","Muller, Alfred; Otto, Stefanus","trans-Carbonylchloridobis(ferrocenyldiphenylphosphane-κP)rhodium(I) dichloromethane monosolvate and trans-carbonylchloridobis(ferrocenyldiphenylphosphane-κP)iridium(I) dichloromethane monosolvate","Acta Crystallographica Section C","2011","67","5","m165","m168","10.1107/S0108270111014107","","","0.71073","MoKα","","0.0949","0.0496","","","0.1177","0.1311","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018068","11.736","0.003","6.801","0.0016","12.793","0.003","90","","102.686","0.002","90","","996.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[diaqua-μ~4~-sulfato-di-μ~4~-sulfito-didysprosium(III)]","","- Dy2 H4 O12 S3 -","- Dy2 H4 O12 S3 -","- Dy8 H16 O48 S12 -","4","0.5","KU3040","Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su","Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound","Acta Crystallographica Section C","2011","67","5","i27","i29","10.1107/S0108270111009048","","","0.71073","MoKα","","0.0264","0.022","","","0.0471","0.0487","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018069","9.4744","0.0012","9.5803","0.0012","19.145","0.002","90","","90","","90","","1737.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[tetra-μ~2~-L-lactato-indium(III)sodium(I)]","","- C12 H20 In Na O12 -","- C12 H20 In Na O12 -","- C48 H80 In4 Na4 O48 -","4","1","LG3055","Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan","Poly[tetra-μ~2~-L-lactato-indium(III)sodium(I)]","Acta Crystallographica Section C","2011","67","5","m145","m148","10.1107/S0108270111013606","","","0.71073","MoKα","","0.0378","0.0285","","","0.0532","0.0568","","","","","","1.022","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018070","7.064","0.002","8.475","0.004","13.966","0.006","102.48","0.03","92.58","0.03","99.96","0.03","801.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt monohydrate","cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate monohydrate","","- C11 H26 N O7 P -","- C11 H26 N O7 P -","- C22 H52 N2 O14 P2 -","2","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","0.71073","MoKα","","0.0453","0.0341","","","0.091","0.0942","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018071","6.678","0.002","8.877","0.002","24.93","0.006","90","","90","","90","","1477.9","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt","cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate","","- C11 H24 N O6 P -","- C11 H24 N O6 P -","- C44 H96 N4 O24 P4 -","4","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","1.5418","CuKα","","0.0632","0.0371","","","0.055","0.0596","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018072","6.859","0.002","7.114","0.003","8.939","0.003","89.13","0.03","76","0.03","81.18","0.03","418.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinane-2-ol","","- C5 H11 O6 P -","- C5 H11 O6 P -","- C10 H22 O12 P2 -","2","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","0.71073","MoKα","","0.0349","0.0304","","","0.0843","0.0861","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018073","8.2526","0.0003","11.9486","0.0004","32.1865","0.001","90","","90","","90","","3173.81","0.19","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","5-amino-8-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)pyrimido[4,5- d]pyrimidine-2,4(3H,8H)-dione methanol monosolvate","","- C33 H29 N5 O10 -","- C33 H29 N5 O10 -","- C132 H116 N20 O40 -","4","1","QS3001","Pan, Mei-Ying; Wu, Xiao-Hua; Luo, Dai-Bing; Huang, Wen; He, Yang","A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure","Acta Crystallographica Section C","2011","67","5","o175","o178","10.1107/S0108270111011383","","","0.7107","MoKα","","0.0633","0.0384","","","0.086","0.0928","","","","","","0.912","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018074","11.281","0.003","6.336","0.002","16.278","0.005","90","","102.676","0.008","90","","1135.1","0.6","298","1","298","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ferric sulfate trihydrate","diiron(III) trisulfate trihydrate","","- Fe2 H6 O15 S3 -","- Fe2 H6 O15 S3 -","- Fe8 H24 O60 S12 -","4","1","QS3002","Xu, Wenqian; Parise, John B.","Synthetic ferric sulfate trihydrate, Fe~2~(SO~4~)~3~·3H~2~O, a new ferric sulfate salt","Acta Crystallographica Section C","2011","67","5","i30","i32","10.1107/S0108270111012273","","","0.71073","MoKα","","0.0356","0.0278","","","0.0798","0.0842","","","","","","1.047","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018075","9.8072","0.0005","17.1235","0.0009","14.6837","0.0006","90","","129.866","0.002","90","","1892.68","0.17","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol- 1-yl)butane]cadmium(II)]","","- C18 H20 Cd N6 O4 -","- C18 H20 Cd N6 O4 -","- C72 H80 Cd4 N24 O16 -","4","1","QS3003","Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing","A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]","Acta Crystallographica Section C","2011","67","5","m137","m139","10.1107/S0108270111011413","","","0.71073","MoKα","","0.0283","0.0235","","","0.0581","0.0604","","","","","","0.9","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018076","13.3928","0.0014","5.1432","0.0005","14.6577","0.0015","90","","112.646","0.0006","90","","931.81","0.16","298","","298","","101.3","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Benzoylsulfanyl)acetic acid","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C36 H32 O12 S4 -","4","1","SK3399","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies","Acta Crystallographica Section C","2011","67","5","o166","o170","10.1107/S0108270111010328","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.1","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018077","6.51605","0.00007","8.52612","0.00009","12.9191","0.00011","84.3274","0.0006","80.5788","0.0006","69.19","0.0004","661.225","0.012","298","","298","","","","","","","","","5","P -1","-P 1","2","","2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C26 H22 N2 O10 S2 -","2","1","SK3399","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies","Acta Crystallographica Section C","2011","67","5","o166","o170","10.1107/S0108270111010328","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.2","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018078","6.0318","0.0009","8.3396","0.001","25.361","0.004","90","","90","","90","","1275.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R*,4S*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1H- 1-benzazepin-4-ol","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","SK3404","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2R*,4S*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol: a three-dimensional framework built from O—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2011","67","5","o157","o160","10.1107/S010827011101016X","","","0.71073","MoKα","","0.05","0.0347","","","0.0768","0.0855","","","","","","1.114","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018079","7.715","0.0009","9.7229","0.0007","7.4514","0.0008","90","","114.453","0.008","90","","508.81","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diaminopyrimidin-4-one","","- C4 H6 N4 O -","- C4 H6 N4 O -","- C16 H24 N16 O4 -","4","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0482","0.0379","","","0.0883","0.0921","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018080","7.4417","0.0006","25.3217","0.0018","9.8578","0.0007","90","","108.476","0.006","90","","1761.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-diaminopyrimidin-4-one dimethylformamide solvate hydrate (3/4/1)","","- C8 H16 N5.33 O2.67 -","- C8 H16 N5.33333 O2.66667 -","- C48 H96 N32 O16 -","6","3","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0558","0.0399","","","0.0809","0.0853","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018081","19.1494","0.0013","7.8704","0.0004","14.9104","0.0011","90","","104.868","0.006","90","","2172","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,6-diaminopyrimidin-4-one dimethylacetamide solvate (1/1)","","- C8 H15 N5 O2 -","- C8 H15 N5 O2 -","- C64 H120 N40 O16 -","8","2","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0505","0.0474","","","0.1232","0.1257","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018082","8.455","0.0009","10.0803","0.0009","17.0735","0.0015","75.558","0.007","78.222","0.008","81.363","0.008","1371.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,6-diaminopyrimidin-4-one N-methyl-2-pyrrolidone solvate (3/2)","","- C23 H39 N11 O5 -","- C23 H39 N11 O5 -","- C46 H78 N22 O10 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1051","0.0555","","","0.1137","0.1266","","","","","","0.911","","","","has coordinates,has Fobs","195238","2020-10-21","18:00:00",""
"2018083","7.8763","0.0013","9.6078","0.0017","12.3115","0.0019","108.78","0.013","95.194","0.013","99.959","0.013","858","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6-methylpyrimidin-4(3H)-one‒2-amino-6-methylpyrimidin-\ 4(1H)-one‒dimethylacetamide (1/1/1)","","- C14 H23 N7 O3 -","- C14 H23 N7 O3 -","- C28 H46 N14 O6 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1331","0.0678","","","0.1797","0.2043","","","","","","0.819","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018084","7.3321","0.0007","9.8805","0.0009","12.586","0.0012","102.835","0.007","98.83","0.008","91.555","0.008","876.7","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6-methylpyrimidin-4(3H)-one–2-amino-6-methylpyrimidin-\ 4(1H)-one–N-methyl-2-pyrrolidone (1/1/1)","","- C15 H23 N7 O3 -","- C15 H23 N7 O3 -","- C30 H46 N14 O6 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1071","0.0678","","","0.1573","0.1756","","","","","","0.815","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018085","12.0882","0.0006","25.1607","0.0013","15.8103","0.0008","90","","108.879","0.001","90","","4550","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-dichlorido-trans-dimethyl-cis- bis(N,N',N''-tricyclohexylphosphoric triamide-κO)tin(IV)","","- C38 H78 Cl2 N6 O2 P2 Sn -","- C38 H78 Cl2 N6 O2 P2 Sn -","- C152 H312 Cl8 N24 O8 P8 Sn4 -","4","1","SQ3282","Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.","The hydrogen-bonded dimers of N,N',N''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes","Acta Crystallographica Section C","2011","67","5","m160","m164","10.1107/S010827011101403X","","","0.71073","MoKα","","0.0302","0.0244","","","0.0736","0.0798","","","","","","1.004","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018086","15.4495","0.0012","18.6924","0.0014","16.5229","0.0012","90","","116.656","0.001","90","","4264.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-diaquabis(N,N',N''-tricyclohexylphosphoric triamide-κO)copper(II) dinitrate– N,N',N''-tricyclohexylphosphoric triamide (1/2)","","- C72 H148 Cu N14 O12 P4 -","- C72 H148 Cu N14 O12 P4 -","- C144 H296 Cu2 N28 O24 P8 -","2","0.5","SQ3282","Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.","The hydrogen-bonded dimers of N,N',N''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes","Acta Crystallographica Section C","2011","67","5","m160","m164","10.1107/S010827011101403X","","","0.71073","MoKα","","0.0658","0.0432","","","0.0956","0.1058","","","","","","1.043","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018087","11.2894","0.0017","13.539","0.002","13.606","0.002","73.915","0.013","78.438","0.014","74.41","0.012","1906.8","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[(dihydrogen pyrophosphato-κ^2^O,O')(2,2':6',2''- terpyridine-κ^2^N,N')copper(II)] 4.5-hydrate","","- C30 H35 Cu2 N6 O18.5 P4 -","- C30 H35 Cu2 N6 O18.5 P4 -","- C60 H70 Cu4 N12 O37 P8 -","2","1","SQ3286","Perec, Mireille; Baggio, Ricardo","Bis[(dihydrogen pyrophosphato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N,N',N'')copper(II)] 4.5-hydrate","Acta Crystallographica Section C","2011","67","5","m140","m144","10.1107/S0108270111012121","","","0.71073","MoKα","","0.0731","0.0354","","","0.0904","0.1011","","","","","","1.025","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018088","10.6623","0.0008","25.395","0.002","7.4167","0.0005","90","","90","","90","","2008.2","0.3","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrachloridozincate","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","WQ3001","Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif","Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy","Acta Crystallographica Section C","2011","67","5","m126","m129","10.1107/S0108270111012297","","","0.7107","MoKα","","0.0762","0.066","","0.143","0.127","0.143","","","","","","0.924","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018089","12.5606","0.0007","8.0425","0.0005","13.9139","0.0008","90","","102.002","0.003","90","","1374.84","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","cholic acid‒pentan-3-one (1/1)","","- C29 H50 O6 -","- C29 H50 O6 -","- C58 H100 O12 -","2","1","BI3016","Kalf, Irmgard; Englert, Ulli","The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate","Acta Crystallographica Section C","2011","67","6","o206","o208","10.1107/S0108270111016933","","","0.71073","MoKα","","0.1284","0.0805","","","0.177","0.1998","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018090","11.034","0.003","11.741","0.004","12.818","0.003","63.883","0.007","66.841","0.01","86.82","0.013","1356.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(+)] pentacarbonylchromate(2-) ethylenediamine monosolvate","","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","1","1","BI3018","Zhai, Jun; Xu, Li","The pentacoordinated [Cr(CO)~5~]^2{-^} dianion in [2,2,2-crypt-K]~2~[Cr(CO)~5~] ethylenediamine monosolvate","Acta Crystallographica Section C","2011","67","6","m202","m204","10.1107/S0108270111018233","","","0.71073","MoKα","","0.0838","0.0475","","","0.104","0.1202","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018091","15.4606","0.0004","9.2495","0.0003","8.4159","0.0002","90","","104.27","0.002","90","","1166.36","0.06","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","1,2,3-trimethylpyridinium aquatrichloridocuprate(II)","","- C8 H14 Cl3 Cu N O -","- C8 H14 Cl3 Cu N O -","- C32 H56 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0309","0.0266","","","0.0652","0.0673","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018092","15.6883","0.0019","9.2405","0.001","8.5073","0.001","90","","103.521","0.009","90","","1199.1","0.2","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","1,2,3-trimethylpyridinium aquatrichloridocuprate(II)","","- C8 H14 Cl3 Cu N O -","- C8 H14 Cl3 Cu N O -","- C32 H56 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0558","0.0421","","","0.1001","0.1118","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018093","15.1429","0.0004","8.8854","0.0002","8.5918","0.0002","90","","104.262","0.002","90","","1120.4","0.05","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","3,4-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C28 H48 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0328","0.0259","","","0.0586","0.0616","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018094","15.3144","0.0004","8.8708","0.0002","8.7761","0.0002","90","","103.967","0.002","90","","1156.99","0.05","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","3,4-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12.12 Cl3 Cu N O -","- C28 H48.48 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0398","0.0327","","","0.0858","0.0901","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018095","8.8088","0.0004","8.7803","0.0004","8.757","0.0004","74.101","0.003","76.513","0.004","59.895","0.007","559.77","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,3-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C14 H24 Cl6 Cu2 N2 O2 -","2","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0497","0.0459","","","0.1214","0.1235","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018096","8.8369","0.0004","8.8282","0.0004","8.941","0.0004","74.628","0.003","77.056","0.004","59.517","0.007","576.23","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","2,3-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C14 H24 Cl6 Cu2 N2 O2 -","2","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0531","0.0441","","","0.1211","0.1275","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018097","10.1958","0.0003","7.608","0.0003","16.3281","0.0005","90","","102.927","0.002","90","","1234.46","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethylpiperidinium aquatrichloridocuprate(II)","","- C7 H18 Cl3 Cu N O -","- C7 H18 Cl3 Cu N O -","- C28 H72 Cl12 Cu4 N4 O4 -","4","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0526","0.0356","","","0.0746","0.0811","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018098","10.3459","0.0002","7.6409","0.0002","16.5616","0.0004","90","","103.746","0.002","90","","1271.73","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethylpiperidinium aquatrichloridocuprate(II)","","- C7 H18 Cl3 Cu N O -","- C7 H18 Cl3 Cu N O -","- C28 H72 Cl12 Cu4 N4 O4 -","4","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0411","0.0315","","","0.0765","0.083","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018099","9.5388","0.0011","12.6589","0.0014","21.4","0.002","90","","98.539","0.001","90","","2555.4","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","poly[[diaquatri-μ~2~-chlorido-tri-μ~3~-nicotinato- tricopper(I)gadolinium(III)] hemiydrate]","","- C18 H17 Cl3 Cu3 Gd N3 O8.5 -","- C18 H17 Cl3 Cu3 Gd N3 O8.5 -","- C72 H68 Cl12 Cu12 Gd4 N12 O34 -","4","1","DN3161","Wu, Shuhong","A novel three-dimensional heterometallic coordination polymer: poly[[diaquadi-μ~3~-chlorido-μ~2~-chlorido-tri-μ~3~-nicotinato-tricopper(I)gadolinium(III)] hemihydrate]","Acta Crystallographica Section C","2011","67","6","m211","m214","10.1107/S010827011101732X","","","0.71073","MoKα","","0.0588","0.042","","","0.096","0.1056","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018100","7.4436","0.0001","19.0015","0.0004","23.7517","0.0005","90","","91.686","0.001","90","","3357.98","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-4,4'-Bipyridine-κ^2^N:N'-bis[triaqua(4,4'-bipyridine- κN)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate","","- C64 H68 Cd2 Cl2 N12 O20 -","- C64 H68 Cd2 Cl2 N12 O20 -","- C128 H136 Cd4 Cl4 N24 O40 -","2","0.5","DN3162","Gao, Junlin; Wang, Jun; Nie, Jianhua","μ-4,4'-Bipyridine-κ^2^N:N'-bis[triaqua(4,4'-bipyridine-κN)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate: a novel supramolecular system constructed by π‒π and hydrogen-bonding interactions","Acta Crystallographica Section C","2011","67","6","m181","m184","10.1107/S0108270111017690","","","0.71073","MoKα","","0.0346","0.0276","","","0.0626","0.0658","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018101","8.37465","0.00007","11.93209","0.0001","12.61875","0.0001","90","","90","","90","","1260.95","0.018","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-Dichloridobis(2-methyl-2H-tetrazol-5-amine- κN^4^)platinum(II)","","- C4 H10 Cl2 N10 Pt -","- C4 H10 Cl2 N10 Pt -","- C16 H40 Cl8 N40 Pt4 -","4","1","FA3255","Ivashkevich, Ludmila S.; Serebryanskaya, Tatyana V.; Lyakhov, Alexander S.; Gaponik, Pavel N.","An X-ray powder diffraction study of cis-dichloridobis(2-methyl-2H-tetrazol-5-amine-κN^4^)platinum(II), a tetrazole-containing analogue of cisplatin","Acta Crystallographica Section C","2011","67","6","m195","m198","10.1107/S0108270111018063","powder diffraction","","1.5418","CuKα","","0.033","","","","","","","","1.64","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018102","12.238","0.002","12.217","0.002","14.123","0.003","90","","108.61","0.03","90","","2001.1","0.7","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[diselanylbis(1,3-dimethyl-1H-imidazol-3-ium) [μ~3~-chlorido-tetra-μ~2~-chlorido-tricuprate(I)]]","","- C10 H16 Cl5 Cu3 N4 Se2 -","- C10 H16 Cl5 Cu3 N4 Se2 -","- C40 H64 Cl20 Cu12 N16 Se8 -","4","0.5","FN3080","Kimani, Martin M.; VanDerveer, Don; Brumaghim, Julia L.","The diselanylbis(1,3-dimethyl-1H-imidazol-3-ium) dication stabilized by the polymeric catena-pentachloridotricuprate(I) anion","Acta Crystallographica Section C","2011","67","6","m208","m210","10.1107/S0108270111018117","","","0.71073","MoKα","","0.0546","0.0435","","","0.1043","0.1137","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018103","10.7697","0.0006","8.0282","0.0004","19.6442","0.0012","90","","102.323","0.006","90","","1659.33","0.16","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^N^1^:N^1'^- bis[(diethylenetriamine-κ^3^N,N',N'')palladium(II)] tetranitrate","","- C22 H42 N12 O12 Pd2 -","- C22 H42 N12 O12 Pd2 -","- C44 H84 N24 O24 Pd4 -","2","0.5","GD3392","Seidel, Rüdiger W.; Oppel, Iris M.","μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^N^1^:N^1'^-bis[(diethylenetriamine-κ^3^N,N',N'')palladium(II)] tetranitrate","Acta Crystallographica Section C","2011","67","6","m199","m201","10.1107/S0108270111017586","","","0.71073","MoKα","","0.0706","0.0382","","","0.0664","0.0764","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018104","17.6547","0.0005","9.864","0.0003","33.3982","0.0008","90","","101.56","0.001","90","","5698.2","0.3","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-dianilinopentane-1,3,5-trione","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C272 H256 N32 O48 -","16","2","GG3256","Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.","1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains","Acta Crystallographica Section C","2011","67","6","o212","o218","10.1107/S0108270111017501","","","0.71073","MoKα","","0.2556","0.048","","","0.0796","0.1105","","","","","","0.814","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018105","17.6547","0.0005","9.864","0.0003","32.7904","0.0008","90","","93.733","0.001","90","","5698.2","0.3","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-dianilinopentane-1,3,5-trione","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C272 H256 N32 O48 -","16","2","GG3256","Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.","1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains","Acta Crystallographica Section C","2011","67","6","o212","o218","10.1107/S0108270111017501","","","0.71073","MoKα","","0.2811","0.0516","","","0.082","0.115","","","","","","0.826","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018106","7.0045","0.0014","8.487","0.002","10.057","0.0017","81.1","0.02","86.17","0.02","75.25","0.03","571","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[μ-hydroxido-(μ7‒4-phosphonatobenzenesulfonato)ditin(II)]","","- C6 H5 O7 P S Sn2 -","- C6 H5 O7 P S Sn2 -","- C12 H10 O14 P2 S2 Sn4 -","2","1","JZ9200","Maniam, Palanikumar; Stock, Norbert","A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters. Corrigendum","Acta Crystallographica Section C","2011","67","6","e14","","10.1107/S0108270111016076","","","0.71073","MoKα","","0.0314","0.0251","","","0.0644","0.0664","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018107","5.442","0.001","5.442","0.001","12.1177","0.0014","90","","90","","90","","358.87","0.1","294","2","294","2","","","","","","","","3","I -4","I -4","82","Wulfenite","lead(II) molybdate(VI)","","- Mo4.24 O16 Pb3.76 -","- Mo1.0595 O4 Pb0.9405 -","- Mo4.238 O16 Pb3.762 -","4","0.5","KU3043","Cora, Ildikó; Czugler, Mátyás; Dódony, István; Rečnik, Aleksander","On the symmetry of wulfenite (Pb[MoO~4~]) from Mežica (Slovenia)","Acta Crystallographica Section C","2011","67","6","i33","i35","10.1107/S0108270111015769","","","0.7107","MoKα","","0.0249","0.0246","","","0.0607","0.0613","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018108","7.6516","0.0001","14.781","0.0003","17.8063","0.0004","90","","95.8175","0.0008","90","","2003.49","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","KU3044","Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and N-{5-benzoyl-2-[(Z)-2-methoxyethenyl]-4-methylphenyl}benzamide","Acta Crystallographica Section C","2011","67","6","o201","o205","10.1107/S0108270111015794","","","0.71073","MoKα","","0.0764","0.0462","","","","0.1262","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018109","9.6722","0.0002","10.014","0.0002","11.5677","0.0003","71.422","0.001","84.479","0.001","67.753","0.001","982.6","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-{5-benzoyl-2-[(Z)-2-methoxyethenyl]-4-methylphenyl}benzamide","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C48 H42 N2 O6 -","2","1","KU3044","Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and N-{5-benzoyl-2-[(Z)-2-methoxyethenyl]-4-methylphenyl}benzamide","Acta Crystallographica Section C","2011","67","6","o201","o205","10.1107/S0108270111015794","","","0.71073","MoKα","","0.1115","0.0617","","","","0.1545","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018110","5.4948","0.0001","8.683","0.0001","21.3724","0.0004","90","","90","","90","","1019.71","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0443","0.0383","","","0.0838","0.087","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018111","6.1741","0.0015","8.7308","0.0019","19.844","0.004","90","","90","","90","","1069.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0499","0.037","","","0.0831","0.0898","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018112","14.592","0.003","5.5108","0.0011","15.106","0.003","90","","90","","90","","1214.7","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(Thiophen-3-yl)ethanone","","- C6 H6 O S -","- C6 H6 O S -","- C48 H48 O8 S8 -","8","1","SK3405","Rozycka-Sokolowska, Ewa; Borowski, Andrzej; Marciniak, Bernard","1-(Thiophen-3-yl)ethanone","Acta Crystallographica Section C","2011","67","6","o209","o211","10.1107/S010827011101506X","","","0.71073","MoKα","","0.0861","0.0404","","","0.0669","0.0825","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018113","12.479","0.004","11.452","0.004","16.776","0.006","90","","98.766","0.006","90","","2369.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole","","- C28 H24 N4 O3 -","- C28 H24 N4 O3 -","- C112 H96 N16 O12 -","4","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and HgX~2~ (X = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0873","0.0534","","","0.1229","0.1413","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018114","8.8422","0.0018","12.927","0.003","13.066","0.003","95.232","0.003","97.758","0.003","99.318","0.003","1450.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[[dichloridomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Cl2 Hg N4 O4 -","- C29 H28 Cl2 Hg N4 O4 -","- C58 H56 Cl4 Hg2 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and HgX~2~ (X = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0619","0.0515","","","0.1234","0.1287","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018115","8.8247","0.0012","12.9673","0.0018","13.0197","0.0018","95.747","0.002","99.101","0.002","98.902","0.002","1441.5","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[[dibromidomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Br2 Hg N4 O4 -","- C29 H28 Br2 Hg N4 O4 -","- C58 H56 Br4 Hg2 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and HgX~2~ (X = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0522","0.0478","","","0.1232","0.1265","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018116","9.046","0.003","13.153","0.004","13.213","0.004","95.975","0.004","99.503","0.004","97.271","0.004","1525.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[[diiodidomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Hg I2 N4 O4 -","- C29 H28 Hg I2 N4 O4 -","- C58 H56 Hg2 I4 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and HgX~2~ (X = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0623","0.0464","","","0.099","0.107","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018117","4.85705","0.0001","8.41719","0.00016","7.87301","0.00016","90","","118.77","0.0011","90","","282.137","0.01","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Magnesium bis(perchlorate)","","- Cl2 Mg O8 -","- Cl2 Mg O8 -","- Cl4 Mg2 O16 -","2","0.5","SQ3289","Lim, Hyung-Kyu; Choi, Young Sun; Hong, Seung-Tae","Magnesium perchlorate anhydrate, Mg(ClO~4~)~2~, from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","6","i36","i38","10.1107/S0108270111015861","powder diffraction","","1.5405","CuKα~1~","","","","","","","","","","1.35","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018118","4.6061","0.0002","8.2473","0.0002","14.7545","0.0004","99.756","0.002","93.909","0.002","96.506","0.002","546.64","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1,3,5-tris(Bromomethyl)benzene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","TP3001","Fernandes, José A.; Vilela, Sérgio M. F.; Ribeiro-Claro, Paulo J. A.; Almeida Paz, Filipe A.","1,3,5-Tris(bromomethyl)benzene","Acta Crystallographica Section C","2011","67","6","o198","o200","10.1107/S0108270111013618","","","0.71073","MoKα","","0.0663","0.0349","","","0.0691","0.0772","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018119","9.79","0.0013","10.1129","0.0013","11.2737","0.0014","66.198","0.002","87.935","0.001","69.418","0.002","948.7","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1- yl)butane]cadmium(II)]","","- C18 H20 Cd N6 O4 -","- C18 H20 Cd N6 O4 -","- C36 H40 Cd2 N12 O8 -","2","1","WQ3002","Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan","Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ~3~-benzene-1,4-diacetate)] double chains","Acta Crystallographica Section C","2011","67","6","m173","m175","10.1107/S0108270111016507","","","0.71073","MoKα","","0.0404","0.0386","","","0.1206","0.1215","","","","","","1.215","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018120","10.5967","0.0002","10.5967","0.0002","10.5967","0.0002","90","","90","","90","","1189.9","0.04","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Sodium tris(acetato-κ^2^O,O')dioxidoamericate(VI)","","- C6 H9 Am Na O8 -","- C6 H9 Am Na O8 -","- C24 H36 Am4 Na4 O32 -","4","0.333333","YF3001","Grigoriev, Mikhail S.; Fedosseev, Alexandre M.","Sodium tris(acetato-κ^2^O,O')dioxidoamericate(VI) and guanidinium tris(cyclopropanecarboxylato-κ^2^O,O')dioxidoamericate(VI)","Acta Crystallographica Section C","2011","67","6","m205","m207","10.1107/S010827011101701X","","","0.71073","MoKα","","0.0441","0.0322","","","0.0529","0.0558","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018121","9.5421","0.0003","13.283","0.0004","14.2737","0.0004","90","","92.927","0.002","90","","1806.8","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","guanidinium tris(cyclopropanecarboxylato-κ^2^O,O')dioxidoamericate(VI)","","- C13 H21 Am N3 O8 -","- C13 H21 Am N3 O8 -","- C52 H84 Am4 N12 O32 -","4","1","YF3001","Grigoriev, Mikhail S.; Fedosseev, Alexandre M.","Sodium tris(acetato-κ^2^O,O')dioxidoamericate(VI) and guanidinium tris(cyclopropanecarboxylato-κ^2^O,O')dioxidoamericate(VI)","Acta Crystallographica Section C","2011","67","6","m205","m207","10.1107/S010827011101701X","","","0.71073","MoKα","","0.0632","0.0343","","","0.0578","0.0653","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018122","23.2351","0.0011","11.7216","0.0004","13.7825","0.0007","90","","115.285","0.006","90","","3394.1","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[(di-2-pyridylamine- κ^2^N^2^,N^2'^)copper(II)]-μ-benzene- 1,3-dicarboxylato-κ^3^O^1^,O^1'^:O^3^] monohydrate]","","- C18 H15 Cu N3 O5 -","- C18 H15 Cu N3 O5 -","- C144 H120 Cu8 N24 O40 -","8","1","BG3138","Rogan, Jelena; Poleti, Dejan; Karanović, Ljiljana","catena-Poly[[[(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]-μ-benzene-1,3-dicarboxylato-κ^3^O^1^,O^1'^:O^3^] monohydrate], a zigzag coordination polymer with strong π‒π interactions","Acta Crystallographica Section C","2011","67","7","m230","m233","10.1107/S0108270111022451","","","0.71069","MoKα","","0.0434","0.03","","","0.074","0.0764","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018123","21.9116","0.0006","8.84942","0.0001","17.2357","0.0004","90","","122.196","0.006","90","","2828.2","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","rac-trans-2-aminocyclohexan-1-aminium di(methanesulfonyl)amide 0.11-hydrate","","- C8 H21.22 N3 O4.11 S2 -","- C8 H21.221 N3 O4.1105 S2 -","- C64 H169.768 N24 O32.884 S16 -","8","2","EG3071","Wölper, Christoph; Anwar, Naveed; Gulzar, Naeem; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXCI. The `almost' polymorphs rac-trans-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate","Acta Crystallographica Section C","2011","67","7","o249","o254","10.1107/S0108270111020816","","","0.71073","MoKα","","0.0312","0.0256","","","0.0534","0.054","","","","","","0.953","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2018124","9.7958","0.0003","8.5522","0.0002","16.0779","0.0004","90","","106.455","0.003","90","","1291.77","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-trans-2-aminocyclohexan-1-aminium di(methanesulfonyl)amide","","- C8 H21 N3 O4 S2 -","- C8 H21 N3 O4 S2 -","- C32 H84 N12 O16 S8 -","4","1","EG3071","Wölper, Christoph; Anwar, Naveed; Gulzar, Naeem; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXCI. The `almost' polymorphs rac-trans-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate","Acta Crystallographica Section C","2011","67","7","o249","o254","10.1107/S0108270111020816","","","0.71073","MoKα","","0.0308","0.0256","","","0.0735","0.0747","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018125","9.8057","0.0003","18.1602","0.0005","11.8234","0.0003","90","","95.482","0.003","90","","2095.8","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~3~-trimethylsilylmethanolato)tetrakis(μ~2~- trimethylsilylmethyl)dimagnesiumdisodium]","","- C24 H66 Mg2 Na2 O2 Si6 -","- C24 H66 Mg2 Na2 O2 Si6 -","- C48 H132 Mg4 Na4 O4 Si12 -","2","0.5","EM3041","Baillie, Sharon E.; Blair, Victoria L.; Hevia, Eva; Kennedy, Alan R.","A new polymeric alkyl/alkoxide magnesium‒sodium inverse crown complex","Acta Crystallographica Section C","2011","67","7","m249","m251","10.1107/S0108270111023134","","","0.71073","MoKα","","0.0588","0.0391","","","0.0949","0.0995","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018126","9.668","0.0002","12.3567","0.0003","12.8186","0.0004","62.364","0.001","76.41","0.001","73.073","0.001","1288.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(methyltri-o-tolylphosphonium) octaiodide","","- C44 H48 I8 P2 -","- C44 H48 I8 P2 -","- C44 H48 I8 P2 -","1","0.5","FA3253","Haghjoo, Farhad; Barnes, Nick; Pritchard, Robin","Bis(methyltri-o-tolylphosphonium) octaiodide","Acta Crystallographica Section C","2011","67","7","o219","o221","10.1107/S0108270111019287","","","0.71073","MoKα","","0.0897","0.0694","","","","0.1828","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018127","10.7088","0.0004","6.7143","0.0003","15.7006","0.0005","90","","116.515","0.002","90","","1010.16","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[dichloridobis(methylamido-κN)bis(methylamine- κN)titanium(IV)]","","- C8 H26 Cl6 N4 Ti2 -","- C8 H26 Cl6 N4 Ti2 -","- C16 H52 Cl12 N8 Ti4 -","2","0.5","FG3220","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Di-μ-chlorido-bis[dichloridobis(methylamido-κN)bis(methylamine-κN)titanium(IV)]","Acta Crystallographica Section C","2011","67","7","m234","m236","10.1107/S0108270111023353","","","0.71073","MoKα","","0.0327","0.0275","","","0.0589","0.0621","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018128","7.2326","0.0003","12.7207","0.0004","17.7516","0.0005","77.877","0.003","79.096","0.003","73.968","0.004","1519.66","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","Methyl 2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate","","- C7 H8 N4 O S2 -","- C7 H8 N4 O S2 -","- C42 H48 N24 O6 S12 -","6","3","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.061","0.0352","","","0.0898","0.0944","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018129","7.8332","0.0002","21.0883","0.0004","7.392","0.0002","90","","116.121","0.004","90","","1096.36","0.06","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-[bis(methylsulfanyl)methylidene]pyrazine-2-carbohydrazide","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C32 H40 N16 O4 S8 -","4","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.0361","0.0311","","","0.0848","0.0869","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018130","23.111","0.002","7.5812","0.0007","15.6547","0.0014","90","","115.43","0.002","90","","2477.1","0.4","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N'-[bis(methylsulfanyl)methylidene]-6-methoxypyrazine-2-carbohydrazide","","- C9 H12 N4 O2 S2 -","- C9 H12 N4 O2 S2 -","- C72 H96 N32 O16 S16 -","8","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.056","0.0425","","","0.1144","0.1257","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018131","4.09","0.0004","6.4482","0.0006","20.7828","0.0019","90","","91.151","0.002","90","","548","0.09","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","methyl 1-methyl-2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C16 H20 N8 O2 S4 -","2","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.0482","0.046","","","0.1215","0.1232","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018132","9.441","0.014","12.56","0.02","13.69","0.02","90","","90","","90","","1623","4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-amino-6-methylpyridin-1-ium 2-carboxy-3,4,5,6-tetrachlorobenzoate","","- C14 H10 Cl4 N2 O4 -","- C14 H10 Cl4 N2 O4 -","- C56 H40 Cl16 N8 O16 -","4","1","GD3389","Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.","Two hydration products of 3,4,5,6-tetrachloro-N-(methyl-2-pyridyl)phthalmic acids","Acta Crystallographica Section C","2011","67","7","o255","o258","10.1107/S0108270111022384","","","0.71073","MoKα","","0.063","0.0571","","","","0.1274","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018133","8.6972","0.0017","13.762","0.003","15.381","0.003","69.388","0.009","75.342","0.01","72.618","0.001","1621.7","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis(2-amino-3-methylpyridin-1-ium) 3,4,5,6-tetrachlorophthalate‒ 3,4,5,6-tetrachlorophthalic acid (1/1)","","- C28 H20 Cl8 N4 O8 -","- C28 H20 Cl8 N4 O8 -","- C56 H40 Cl16 N8 O16 -","2","1","GD3389","Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.","Two hydration products of 3,4,5,6-tetrachloro-N-(methyl-2-pyridyl)phthalmic acids","Acta Crystallographica Section C","2011","67","7","o255","o258","10.1107/S0108270111022384","","","0.71073","MoKα","","0.0397","0.0362","","","","0.0904","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018134","13.55","0.003","16.78","0.003","19.15","0.004","90","","94.36","0.03","90","","4341.5","1.5","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(9H-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate","","- C24 H27 N2 O4.5 -","- C24 H26.844 N2 O4.5 -","- C192 H214.752 N16 O36 -","8","2","GD3393","Díaz, Fernando; Benassi, Andrés; Quintero, Mariano; Polla, Griselda; Freire, Eleonora; Baggio, Ricardo","1-(9H-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate: a carvedilol solvatomorph","Acta Crystallographica Section C","2011","67","7","o222","o225","10.1107/S0108270111019688","","","0.71073","MoKα","","0.1","0.0539","","","0.1341","0.1472","","","","","","1.05","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018135","9.6649","0.0017","11.578","0.002","16.279","0.003","99.518","0.002","91.296","0.002","105.156","0.002","1729.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 O51 Pr2 S3 -","- C20 H78 Cu10 N20 O51 Pr2 S3 -","- C20 H78 Cu10 N20 O51 Pr2 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0383","0.0288","","","0.0642","0.0694","","","","","","1.048","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018136","9.655","0.002","11.564","0.002","16.278","0.003","99.697","0.002","91.304","0.002","105.236","0.002","1724.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 Nd2 O51 S3 -","- C20 H78 Cu10 N20 Nd2 O51 S3 -","- C20 H78 Cu10 N20 Nd2 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0257","0.0224","","","0.0638","0.0709","","","","","","1.123","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018137","9.6359","0.0015","11.5787","0.0018","16.249","0.003","99.676","0.002","91.446","0.002","105.23","0.002","1719.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 O51 S3 Sm2 -","- C20 H78 Cu10 N20 O51 S3 Sm2 -","- C20 H78 Cu10 N20 O51 S3 Sm2 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0581","0.0509","","","0.1304","0.1374","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018138","9.651","0.003","11.571","0.003","16.254","0.004","99.72","0.004","91","0.004","105.398","0.004","1721.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) sulfate hexahydrate","","- C20 H78 Cu10 Eu2 N20 O51 S3 -","- C20 H78 Cu10 Eu2 N20 O51 S3 -","- C20 H78 Cu10 Eu2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.047","0.0377","","","0.0855","0.0918","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018139","9.603","0.003","11.555","0.003","16.22","0.005","99.7","0.004","91.472","0.005","105.356","0.004","1706.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) sulfate hexahydrate","","- C20 H78 Cu10 Gd2 N20 O51 S3 -","- C20 H78 Cu10 Gd2 N20 O51 S3 -","- C20 H78 Cu10 Gd2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0594","0.0378","","","0.0751","0.0817","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018140","9.5987","0.0008","11.5733","0.001","16.2193","0.0014","99.754","0.001","91.452","0.001","105.29","0.001","1708.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) sulfate hexahydrate","","- C20 H78 Cu10 Dy2 N20 O51 S3 -","- C20 H78 Cu10 Dy2 N20 O51 S3 -","- C20 H78 Cu10 Dy2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0261","0.0244","","","0.0633","0.0641","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018141","9.5859","0.0008","11.5639","0.001","16.1967","0.0014","99.779","0.001","91.453","0.001","105.284","0.001","1702.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) sulfate hexahydrate","","- C20 H78 Cu10 Ho2 N20 O51 S3 -","- C20 H78 Cu10 Ho2 N20 O51 S3 -","- C20 H78 Cu10 Ho2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.037","0.0309","","","0.0791","0.0821","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018142","8.869","0.003","18.653","0.005","9.613","0.003","90","","94.56","0.03","90","","1585.3","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dipotassium ethylenediaminetetraacetate dihydrate","dipotassium 2-({2-[bis(carboxylatomethyl)azaniumyl]ethyl}(carboxylatomethyl)\ azaniumyl)acetate dihydrate","","- C10 H18 K2 N2 O10 -","- C10 H18 K2 N2 O10 -","- C40 H72 K8 N8 O40 -","4","1","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0539","0.0303","","","0.0671","0.0716","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018143","8.074","0.003","9.987","0.003","11.045","0.003","101.68","0.03","102.19","0.03","96.85","0.03","840.2","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","tripotassium ethylenediaminetetraacetate dihydrate","tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)azaniumyl)acetate dihydrate","","- C10 H17 K3 N2 O10 -","- C10 H17 K3 N2 O10 -","- C20 H34 K6 N4 O20 -","2","1","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0351","0.0242","","","0.0628","0.0647","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018144","30.033","0.009","9.7","0.003","31.513","0.009","90","","114.27","0.03","90","","8369","5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetrapotassium ethylenediaminetetraacetate 3.92-hydrate","tetrapotassium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate 3.92-hydrate","","- C10 H19.741 K4 N2 O11.923 -","- C10 H19.739 K4 N2 O11.9235 -","- C160 H315.824 K64 N32 O190.776 -","16","2","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0455","0.0268","","","0.0518","0.0537","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018145","7.8609","0.0002","14.1905","0.0004","49.5413","0.0012","90","","90.099","0.001","90","","5526.3","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-[(E,E)-ferrocene-1,1'-diyldimethylidyne]diindolin-2-one dichloromethane disolvate","","- C30 H24 Cl4 Fe N2 O2 -","- C30 H24 Cl4 Fe N2 O2 -","- C240 H192 Cl32 Fe8 N16 O16 -","8","2","GG3253","Spencer, John; Nielsen, Birthe V.; Thomas, Michael J. K.; Male, Louise; Coles, Simon J.","The Knoevenagel product of indolin-2-one and ferrocene-1,1'-dicarbaldehyde","Acta Crystallographica Section C","2011","67","7","m245","m248","10.1107/S0108270111021536","","","0.71073","MoKα","","0.1075","0.0849","","","0.1597","0.1734","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018146","19.589","0.004","12.808","0.003","16.207","0.003","90","","97.14","0.03","90","","4034.7","1.5","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","catena-poly[[{bis[4-(trimethylammonio)benzenethiolate- κS]mercury(II)}-μ-1,1'-(ethane-1,2-diyl)bis(1H- benzimidazole)-κ^2^N^3^:N^3'^] bis(hexafluoridophosphate) 0.25-hydrate","","- C34 H40.5 F12 Hg N6 O0.25 P2 S2 -","- C34 H40 F12 Hg N6 O0.25 P2 S2 -","- C136 H160 F48 Hg4 N24 O P8 S8 -","4","1","GG3258","Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping","Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands","Acta Crystallographica Section C","2011","67","7","m237","m240","10.1107/S0108270111021512","","","0.71073","MoKα","","0.0741","0.0557","","","0.1091","0.1187","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018147","9.871","0.002","10.364","0.002","18.078","0.004","98.39","0.03","97.85","0.03","94.05","0.03","1804.7","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","catena-poly[[{[4-(trimethylammonio)benzenethiolate- κS]mercury(II)}bis[μ-4-(trimethylammonio)benzenethiolate- κ^2^S:S]{[4-(trimethylammonio)benzenethiolate- κS]mercury(II)}-μ-1,1'-(hexane-1,6-diyl)bis(1H- benzimidazole)-κ^2^N^3^:N^3'^] tetrakis(hexafluoridophosphate)]","","- C56 H74 F24 Hg2 N8 P4 S4 -","- C56 H74 F24 Hg2 N8 P4 S4 -","- C56 H74 F24 Hg2 N8 P4 S4 -","1","0.5","GG3258","Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping","Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands","Acta Crystallographica Section C","2011","67","7","m237","m240","10.1107/S0108270111021512","","","0.71073","MoKα","","0.0453","0.0382","","","0.0883","0.0921","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018148","4.8956","0.0007","4.8956","0.0007","29.751","0.006","90","","90","","120","","617.51","0.18","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","europium nickel indide","europium pentanickel indide","","- Eu In Ni5 -","- Eu In Ni5 -","- Eu6 In6 Ni30 -","6","0.166667","KU3048","Bigun, Inna; Smetana, Volodymyr; Kalychak, Yaroslav","A new rhombohedral modification of EuNi~5~In","Acta Crystallographica Section C","2011","67","7","i42","i44","10.1107/S0108270111022359","","","0.71073","MoKα","","0.0249","0.0219","","","0.0492","0.0508","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018149","5.8272","0.0004","9.8245","0.0004","14.3943","0.0011","90","","90","","90","","824.06","0.09","110.3","","110.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-carboline norharman","9H-pyrido[3,4-b]indole","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","KU3050","Thatcher, Robert J.; Douthwaite, Richard E.","β-Carboline (norharman)","Acta Crystallographica Section C","2011","67","7","o241","o243","10.1107/S0108270111021706","","","0.7107","MoKα","","0.0651","0.0377","","","0.0664","0.0726","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018150","8.4243","0.0001","8.4243","0.0001","25.6975","0.0009","90","","90","","90","","1823.72","0.07","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","catena-poly[[bis(pyridine-κN)zinc(II)]-μ-2-aminobenzene-1,4- dicarboxylato-κ^4^O^1^,O^1'^:O^4^,O^4'^]","","- C18 H15 N3 O4 Zn -","- C18 H15 N3 O4 Zn -","- C72 H60 N12 O16 Zn4 -","4","1","KY3002","Han, Lei; Xu, Lan-Ping; Zhao, Wen-Na","A chiral interdigitated supramolecular network assembled from single-stranded helical tubes","Acta Crystallographica Section C","2011","67","7","m227","m229","10.1107/S0108270111022566","","","0.71073","MoKα","","0.07","0.0431","","","0.068","0.0706","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018151","14.253","0.006","14.253","0.006","14.253","0.006","90","","90","","90","","2895","2","153","2","153","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","tribarium biyttrium hexaborate","","- B6 Ba3 O15 Y2 -","- B6 Ba3 O15 Y2 -","- B48 Ba24 O120 Y16 -","8","0.166667","OV3004","Zhao, Sangen; Yao, Jiyong; Zhang, Guochun; Fu, Peizhen; Wu, Yicheng","Ba~3~Y~2~B~6~O~15~, a novel cubic borate","Acta Crystallographica Section C","2011","67","7","i39","i41","10.1107/S010827011102052X","","","0.71073","MoKα","","0.0223","0.0212","","","0.0461","0.0466","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018152","13.3622","0.0002","8.1542","0.0002","15.6845","0.0003","90","","120.184","0.001","90","","1477.24","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-acetylphenyl)-2,5-dichlorobenzenesulfonamide","","- C14 H11 Cl2 N O3 S -","- C14 H11 Cl2 N O3 S -","- C56 H44 Cl8 N4 O12 S4 -","4","1","SF3150","Fernandes, William B.; Aragão, Angelo Q.; Martins, Felipe T.; Noda-Perez, Caridad; Lariucci, Carlito; Napolitano, Hamilton B.","The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides","Acta Crystallographica Section C","2011","67","7","o226","o229","10.1107/S0108270111019196","","","0.71073","MoKα","","0.0579","0.049","","","","0.1441","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018153","13.0007","0.0005","8.3615","0.0004","12.5179","0.0006","90","","98.118","0.003","90","","1347.13","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-acetylphenyl)benzenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","SF3150","Fernandes, William B.; Aragão, Angelo Q.; Martins, Felipe T.; Noda-Perez, Caridad; Lariucci, Carlito; Napolitano, Hamilton B.","The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides","Acta Crystallographica Section C","2011","67","7","o226","o229","10.1107/S0108270111019196","","","0.71073","MoKα","","0.069","0.0483","","","","0.1467","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018154","13.943","0.004","9.24","0.002","21.642","0.005","90","","97.462","0.005","90","","2764.6","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tert-butyl isocyanide-κC)[4-fluoro-N-({2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^N,N']copper(I)","","- C29 H31 Cu F2 N4 -","- C29 H31 Cu F2 N4 -","- C116 H124 Cu4 F8 N16 -","4","1","SK3409","Willcocks, Alexander M.; Johnson, Andrew L.; Raithby, Paul R.; Schiffers, Stefanie; Warren, John E.","Bis(tert-butyl isocyanide-κC)[4-fluoro-N-({2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^N,N']copper(I)","Acta Crystallographica Section C","2011","67","7","m215","m217","10.1107/S010827011101972X","","","0.6939","synchrotron","","","0.0584","","","","0.1648","","","","","","1.125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018155","15.684","0.003","13.007","0.002","21.981","0.004","90","","90","","90","","4484.2","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[1,2-bis(isopropylsulfanyl)ethane-2κ^2^S,S']octachlorido- 1κ^5^Cl,2κ^3^Cl-μ-oxido-ditantalum(V)","","- C8 H18 Cl8 O S2 Ta2 -","- C8 H18 Cl8 O S2 Ta2 -","- C64 H144 Cl64 O8 S16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^i^PrS(CH~2~)~2~S^i^Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0479","0.0357","","","0.0668","0.0724","","","","","","1.098","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2018156","28.447","0.003","8.2681","0.0005","16.2051","0.001","90","","120.875","0.005","90","","3271.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-dimethyldiselane-κ^2^Se:Se'-μ-oxido- bis[tetrachloridotantalum(V)]","","- C2 H6 Cl8 O Se2 Ta2 -","- C2 H6 Cl8 O Se2 Ta2 -","- C16 H48 Cl64 O8 Se16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^i^PrS(CH~2~)~2~S^i^Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0201","0.0182","","","0.0397","0.0405","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018157","11.58","0.0009","8.4221","0.0006","11.6393","0.0009","90","","113.354","0.001","90","","1042.16","0.14","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^N^3^:N^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato- κ^4^O^1^,O^1'^:O^3^,O^3'^]cadmium(II)]","","- C22 H20 Cd N4 O6 -","- C22 H20 Cd N4 O6 -","- C44 H40 Cd2 N8 O12 -","2","1","SQ3290","Zhou, Shi; Li, Chuan-Bi; Wang, Qing-Wei; Ng, Seik Weng","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^N^3^:N^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato-κ^4^O^1^,O^1'^:O^3^,O^3'^)cadmium(II)], a twofold interpenetrated CdSO~4~-like metal‒organic polymer","Acta Crystallographica Section C","2011","67","7","m224","m226","10.1107/S010827011102083X","","","0.71073","MoKα","","0.0336","0.0279","","","0.0516","0.0535","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018158","5.8637","0.0005","11.2707","0.0008","23.0268","0.0019","90","","93.082","0.008","90","","1519.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen 4-nitrophthalate","4-carbamoylpiperidinium 2-carboxy-4-nitrobenzoate","","- C14 H17 N3 O7 -","- C14 H17 N3 O7 -","- C56 H68 N12 O28 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0635","0.0461","","","0.1077","0.1141","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018159","6.6897","0.0004","9.7392","0.0005","24.1222","0.0013","90","","92.479","0.004","90","","1570.15","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen 4,5-dichlorophthalate","4-carbamoylpiperidinium 2-carboxy-4,5-dichlorobenzoate","","- C14 H16 Cl2 N2 O5 -","- C14 H16 Cl2 N2 O5 -","- C56 H64 Cl8 N8 O20 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0531","0.046","","","0.1108","0.1131","","","","","","1.299","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018160","9.4117","0.0004","14.3552","0.0005","11.449","0.0005","90","","103.787","0.004","90","","1502.27","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide hydrogen 5-nitroisophthalate","4-carbamoylpiperidinium 3-carboxy-5-nitrobenzoate","","- C14 H17 N3 O7 -","- C14 H17 N3 O7 -","- C56 H68 N12 O28 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0542","0.0373","","","0.101","0.1064","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018161","6.5099","0.0005","7.7777","0.0006","11.6865","0.0012","76.429","0.008","76.968","0.007","80.885","0.007","556.89","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide terephthalate dihydrate","bis(4-carbamoylpiperidinium) benzene-1,2-dicarboxylate dihydrate","","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","1","0.5","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0473","0.0337","","","0.0885","0.0926","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018162","7.0045","0.0004","7.6512","0.0005","9.4192","0.0005","87.877","0.005","71.718","0.005","73.083","0.005","457.76","0.05","291","3","291","3","","","","","","","","4","P -1","-P 1","2","8-Hydroxy-7-quinolinecarboxylic acid monohydrate","8-hydroxyquinolinium-7-carboxylate monohydrate","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C20 H18 N2 O8 -","2","1","UK3030","Kruszynski, Rafal","A structural and theoretical study of the intermolecular interactions in 8-hydroxyquinolinium-7-carboxylate monohydrate","Acta Crystallographica Section C","2011","67","7","o230","o234","10.1107/S0108270111021585","","","0.71073","MoKα","","0.0439","0.0315","","","0.0877","0.0916","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018163","9.885","0.002","7.0011","0.0015","12.746","0.003","90","","97.28","0.003","90","","875","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[[μ~3~-(5,6-η):κO^2^:κO^2^-(±)- (1S,2S,3R,4R)-3-carboxy-7- oxabicyclo[2.2.1]hept-5-ene-2-carboxylato]silver(I)] monohydrate]","","- C8 H9 Ag O6 -","- C8 H9 Ag O6 -","- C32 H36 Ag4 O24 -","4","1","WQ3003","Wang, Feng-Yan; Jiang, Xue-Bing; Tan, Xue-Jie; Xing, Dian-Xiang","A two-dimensional undulating Ag^I^ coordination polymer constructed of Ag—C and Ag—O bonds: poly[[[μ~3~-(5,6-η):κO^2^:κO^2^-(±)-(1S,2S,3R,4R)-3-carboxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylato]silver(I)] monohydrate]","Acta Crystallographica Section C","2011","67","7","m218","m220","10.1107/S0108270111019421","","","0.71073","MoKα","","0.0317","0.0295","","","0.0781","0.0795","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018164","27.3191","0.0012","18.7841","0.0007","12.7375","0.0006","90","","97.565","0.004","90","","6479.5","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetra-tert-butyldi-μ~4~-oxido-bis(tetramethylethylenediamine- κ^2^N,N')bis(μ~2~-2,2,6,6-tetramethylpiperidin-1-ido- κ^2^N:N)disodiumtetrazinc hexane 0.59-solvate","","- C49.54 H112.26 N6 Na2 O2 Zn4 -","- C49.54 H112.26 N6 Na2 O2 Zn4 -","- C198.16 H449.04 N24 Na8 O8 Zn16 -","4","0.5","WQ3004","Balloch, Liam; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","A μ~4~-oxide-containing a dimeric variant of a sodium dialkyl(amido)zincate reagent","Acta Crystallographica Section C","2011","67","7","m252","m254","10.1107/S0108270111022645","","","0.71073","MoKα","","0.0484","0.0289","","","0.0839","0.0864","","","","","","0.974","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018165","9.3349","0.0019","9.954","0.002","15.547","0.003","92.21","0.03","93.73","0.03","112.33","0.03","1330.3","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Bis(acetonitrile-κN)bis[hydridotris(3,5-dimethylpyrazol-1-yl- κN^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~- thiocyanato-κ^2^N:S;κ^2^S:N- tetracopper(I)ditungsten(VI)","","- C36 H50 B2 Cu4 N16 S8 W2 -","- C36 H50 B2 Cu4 N16 S8 W2 -","- C36 H50 B2 Cu4 N16 S8 W2 -","1","0.5","YF3004","Lü, Xue; Ren, Zhi-Gang; Zheng, Ai-Xia; Zhang, Liang; Lang, Jian-Ping","Bis(acetonitrile-κN)bis[hydridotris(3,5-dimethylpyrazol-1-yl-κN^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~-thiocyanato-κ^2^N:S;κ^2^S:N-tetracopper(I)ditungsten(VI)","Acta Crystallographica Section C","2011","67","7","m241","m244","10.1107/S0108270111022347","","","0.71073","MoKα","","0.0373","0.0287","","","0.0703","0.0723","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018166","19.643","0.003","4.9874","0.0006","21.482","0.003","90","","102.056","0.002","90","","2058.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-chlorobenzyl)-N''-(2,6- difluorobenzoyl)phosphoric triamide","","- C21 H18 Cl2 F2 N3 O2 P -","- C21 H18 Cl2 F2 N3 O2 P -","- C84 H72 Cl8 F8 N12 O8 P4 -","4","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an R~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.0815","0.0523","","","0.1114","0.1279","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018167","4.8252","0.0006","10.3456","0.0012","45.068","0.005","90","","90.53","0.002","90","","2249.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2,6-difluorobenzoyl)-N',N''-bis(4- methoxybenzyl)phosphoric triamide","","- C23 H24 F2 N3 O4 P -","- C23 H24 F2 N3 O4 P -","- C92 H96 F8 N12 O16 P4 -","4","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an R~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.0556","0.0424","","","0.0972","0.1014","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018168","21.164","0.005","5.0011","0.0012","33.635","0.008","90","","95.149","0.005","90","","3545.7","1.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","N-(2-chloro-2,2-difluoroacetyl)-N',N''-bis(4- methylphenyl)phosphoric triamide","","- C16 H17 Cl F2 N3 O2 P -","- C16 H17 Cl F2 N3 O2 P -","- C128 H136 Cl8 F16 N24 O16 P8 -","8","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an R~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.1388","0.0755","","","0.1747","0.1966","","","","","","1.002","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018169","6.0021","0.0015","11.003","0.003","16.96","0.004","90","","92.566","0.004","90","","1118.9","0.5","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate","","- C9 H12 Cl N3 O2 -","- C9 H12 Cl N3 O2 -","- C36 H48 Cl4 N12 O8 -","4","1","YP3004","Cheng, Yuan; Chen, Lu-Sheng; Liu, Qi-Kui; Wu, Jun; Guo, Dian-Shun","Supramolecular structures constructed by 3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate and 3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1-dimethylprop-2-yn-1-ol","Acta Crystallographica Section C","2011","67","7","o244","o248","10.1107/S0108270111019895","","","0.71073","MoKα","","0.061","0.0524","","","0.1114","0.1151","","","","","","1.205","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018170","7.9966","0.0017","9.737","0.002","9.833","0.002","78.976","0.003","86.217","0.003","73.104","0.003","719","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1- dimethylprop-2-yn-1-ol","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C28 H34 N6 O4 -","2","1","YP3004","Cheng, Yuan; Chen, Lu-Sheng; Liu, Qi-Kui; Wu, Jun; Guo, Dian-Shun","Supramolecular structures constructed by 3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate and 3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1-dimethylprop-2-yn-1-ol","Acta Crystallographica Section C","2011","67","7","o244","o248","10.1107/S0108270111019895","","","0.71073","MoKα","","0.0512","0.045","","","0.1087","0.1122","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018171","7.573","0.0003","11.9386","0.0004","15.6694","0.0006","91.026","0.001","94.732","0.001","92.794","0.001","1409.84","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(2,6-diamine-7H-purine-κN^9^)cobalt(II) benzene-1,2,4,5-tetracarboxylate tetrahydrate","","- C20 H32 Co N12 O16 -","- C20 H32 Co N12 O16 -","- C40 H64 Co2 N24 O32 -","2","1","BM3106","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Tetraaquabis(2,6-diamine-7H-purine-κN^9^)cobalt(II) benzene-1,2,4,5-tetracarboxylate tetrahydrate","Acta Crystallographica Section C","2011","67","8","m275","m278","10.1107/S0108270111020488","","","0.71073","MoKα","","0.0386","0.0341","","","0.0906","0.0953","","","","","","1.043","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018172","10.1431","0.0019","8.1729","0.0011","9.26","0.002","90","","101.879","0.016","90","","751.2","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium semi-malonate","Glycinium semi-malonate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","DT3003","Losev, Evgeniy A.; Zakharov, Boris A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Glycinium semi-malonate and a glutaric acid‒glycine cocrystal: new structures with short O—H···O hydrogen bonds","Acta Crystallographica Section C","2011","67","8","o297","o300","10.1107/S0108270111024620","","","0.71073","MoKα","","0.0523","0.0417","","","0.0896","0.0935","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018173","4.8954","0.0004","20.8944","0.0014","10.8462","0.0008","90","","120.648","0.006","90","","954.45","0.14","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","DT3003","Losev, Evgeniy A.; Zakharov, Boris A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Glycinium semi-malonate and a glutaric acid‒glycine cocrystal: new structures with short O—H···O hydrogen bonds","Acta Crystallographica Section C","2011","67","8","o297","o300","10.1107/S0108270111024620","","","0.71073","MoKα","","0.0511","0.0377","","","0.0949","0.1023","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018174","10.812","0.002","11.942","0.002","10.868","0.002","90","","102.274","0.003","90","","1371.2","0.4","291","2","291","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","(4aR,8aS,9aR,10aS)-8a,9a-Difluoro- 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","","- C14 H19 F2 O2.5 -","- C14 H19 F2 O2.5 -","- C56 H76 F8 O10 -","4","1","EG3073","Mehta, Goverdhan; Sen, Saikat; Thangam, Meenu","(4aR,8aS,9aR,10aS)-8a,9a-Difluoro-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","Acta Crystallographica Section C","2011","67","8","o294","o296","10.1107/S0108270111024413","","","0.71073","MoKa","","0.0654","0.0424","","","0.1071","0.1236","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018175","12.4407","0.0003","19.1542","0.0005","14.6744","0.0004","90","","90","","90","","3496.79","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium 2-(picramino)benzoate monohydrate","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate","","- C36 H36 N6 O13 -","- C36 H36 N6 O13 -","- C144 H144 N24 O52 -","4","1","FG3225","Smith, Graham; Wermuth, Urs D.","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate: a 1:1 proton-transfer salt of brucine with o-picraminobenzoic acid","Acta Crystallographica Section C","2011","67","8","o334","o336","10.1107/S010827011102782X","","","0.71073","MoKα","","0.0643","0.0434","","","0.1034","0.1088","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018176","11.4596","0.001","21.834","0.002","23.905","0.002","114.399","0.001","96.285","0.001","90.388","0.001","5405.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(acetonitrile-κN)bis[N,N- bis(diphenylphosphanyl)ethanamine-κ^2^P,P']iron(II) tetrabromidoferrate(II)","","- C56 H56 Br4 Fe2 N4 P4 -","- C56 H56 Br4 Fe2 N4 P4 -","- C224 H224 Br16 Fe8 N16 P16 -","4","2","GA3164","Maithufi, Norah; Otto, Stefanus","The bis(acetonitrile-κN)bis[N,N-bis(diphenylphosphanyl)ethanamine-κ^2^P,P']iron(II) tetrabromidoferrate(II) and μ-oxido-bis[tribromidoferrate(III)] complex salts","Acta Crystallographica Section C","2011","67","8","m279","m283","10.1107/S0108270111026758","","","0.71073","MoKα","","0.0507","0.0326","","","0.0675","0.0736","","","","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018177","18.928","0.005","18.352","0.004","17.243","0.004","90","","90.365","0.003","90","","5990","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(acetonitrile-κN)bis[N,N- bis(diphenylphosphanyl)ethanamine-κ^2^P,P']iron(II) μ-oxido-bis[tribromidoferrate(III)]","","- C56 H56 Br6 Fe3 N4 O P4 -","- C56 H56 Br6 Fe3 N4 O P4 -","- C224 H224 Br24 Fe12 N16 O4 P16 -","4","1","GA3164","Maithufi, Norah; Otto, Stefanus","The bis(acetonitrile-κN)bis[N,N-bis(diphenylphosphanyl)ethanamine-κ^2^P,P']iron(II) tetrabromidoferrate(II) and μ-oxido-bis[tribromidoferrate(III)] complex salts","Acta Crystallographica Section C","2011","67","8","m279","m283","10.1107/S0108270111026758","","","0.71073","MoKα","","0.0524","0.0386","","","0.091","0.0966","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018178","10.292","0.002","11.25","0.003","13.339","0.003","90","","90.644","0.003","90","","1544.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aquahemi[μ~4~-1,6-bis(1,2,4- triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]","","- C13 H13 Cd N4 O7 -","- C13 H13 Cd N4 O7 -","- C52 H52 Cd4 N16 O28 -","4","1","GA3165","Li, Jing; Wu, Ren-Tao; Li, Hong-Bo","A rare `mesh of trees' (mot) net: poly[aquahemi[μ~4~-1,6-bis(1,2,4-triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]","Acta Crystallographica Section C","2011","67","8","m284","m286","10.1107/S0108270111021871","","","0.71073","MoKα","","0.0416","0.0316","","","0.0654","0.069","","","","","","0.986","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018179","15.8827","0.0006","8.1004","0.0003","27.7913","0.001","90","","91.835","0.002","90","","3573.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 4-amino-N-(4,6-dimethyl-1,2-dihydropyrimidin-2-ylidene)benzenesulfonamide 1,3-dimethyl-7H-purine-2,6-dione","","- C31 H36 N12 O6 S2 -","- C31 H36 N12 O6 S2 -","- C124 H144 N48 O24 S8 -","4","1","GA3166","Lu, Jie; Cruz-Cabeza, Aurora J.; Rohani, Sohrab; Jennings, Michael C.","A 2:1 sulfamethazine‒theophylline cocrystal exhibiting two tautomers of sulfamethazine","Acta Crystallographica Section C","2011","67","8","o306","o309","10.1107/S0108270111024280","","","0.71073","MoKα","","0.0513","0.0395","","","0.1026","0.1096","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018180","6.6517","0.0008","16.084","0.002","9.8254","0.0014","90","","91.825","0.006","90","","1050.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(±)-3-exo,6-exo-dibromo-5-endo-hydroxy-3-endo- nitrobicyclo[2.2.1]heptane-2-exo-carbonitrile","","- C8 H8 Br2 N2 O3 -","- C8 H8 Br2 N2 O3 -","- C32 H32 Br8 N8 O12 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of endo-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.047","0.045","","","0.1149","0.1163","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018181","15.945","0.002","6.7578","0.001","13.194","0.002","90","","107.655","0.009","90","","1354.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-3-exo,6-exo-dibromo-6-endo-nitro-5-exo- phenylbicyclo[2.2.1]heptan-2-endo-ol","","- C13 H13 Br2 N O3 -","- C13 H13 Br2 N O3 -","- C52 H52 Br8 N4 O12 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of endo-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.029","0.0222","","","0.0508","0.0523","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018182","6.7221","0.0002","7.7353","0.0003","12.1546","0.0005","88.296","0.003","80.595","0.003","69.323","0.003","583.08","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(±)-methyl 3-exo,6-exo-dibromo-5-endo-hydroxy-3-endo- nitrobicyclo[2.2.1]heptane-2-exo-carboxylate","","- C9 H11 Br2 N O5 -","- C9 H11 Br2 N O5 -","- C18 H22 Br4 N2 O10 -","2","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of endo-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.051","0.0389","","","0.0672","0.07","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018183","15.8724","0.0008","9.0341","0.0004","15.0064","0.0007","90","","98.219","0.002","90","","2129.71","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-methyl 3-exo,6-exo-dibromo-7-(diphenylmethylidene)-5-endo- hydroxy-3-endo-nitrobicyclo[2.2.1]heptane-2-exo-carboxylate","","- C22 H19 Br2 N O5 -","- C22 H19 Br2 N O5 -","- C88 H76 Br8 N4 O20 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of endo-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.0734","0.0328","","","0.0511","0.0572","","","","","","0.816","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018184","7.8071","0.0013","22.76","0.004","6.7673","0.001","90","","110.32","0.01","90","","1127.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-methyl 3-exo,6-exo-dibromo-5-endo-hydroxy-3-endo-nitro- 7-oxabicyclo[2.2.1]heptane-2-exo-carboxylate","","- C8 H9 Br2 N O6 -","- C8 H9 Br2 N O6 -","- C32 H36 Br8 N4 O24 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of endo-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.0375","0.0324","","","0.0741","0.0756","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018185","9.0348","0.001","10.377","0.0011","13.8951","0.0015","95.994","0.002","108.342","0.002","107.304","0.002","1152","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate","","- C27 H27 O5 P -","- C27 H27 O5 P -","- C54 H54 O10 P2 -","2","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0584","0.05","","","0.136","0.1431","","","","","","1.085","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018186","9.957","0.004","10.589","0.004","14.928","0.006","78.191","0.006","71.505","0.006","64.285","0.006","1340.7","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate acetic acid monosolvate","","- C29 H31 O7 P -","- C29 H31 O7 P -","- C58 H62 O14 P2 -","2","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0764","0.0583","","","0.1453","0.1709","","","","","","0.926","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018187","8.7357","0.001","16.828","0.0018","31.896","0.004","90","","90","","90","","4688.9","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethyl 2-(triphenylphosphoranylidene)succinate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C208 H216 O32 P8 -","8","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0849","0.0516","","","0.1256","0.1386","","","","","","0.914","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018188","10.8577","0.0004","11.1342","0.0006","12.3719","0.0006","87.928","0.004","73.958","0.004","81.354","0.004","1421.06","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","dibenzyl 2-benzyl-2-hydroxy-3-(4-methylphenylsulfonamido)succinate","","- C32 H31 N O7 S -","- C32 H31 N O7 S -","- C64 H62 N2 O14 S2 -","2","1","GZ3195","Mekki, Sofiane; Rolland, Valérie; Bellahouel, Salima; van der Lee, Arie; Rolland, Marc","Concomitant polymorphism in the stereoselective synthesis of a β-benzyl-β-hydroxyaspartate analogue","Acta Crystallographica Section C","2011","67","8","o301","o305","10.1107/S0108270111024632","","","1.54184","CuKα","","0.0587","0.0495","","","0.1391","0.1646","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018189","10.8712","0.0004","19.8539","0.0006","13.818","0.0004","90","","105.156","0.003","90","","2878.68","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibenzyl 2-benzyl-2-hydroxy-3-(4-methylphenylsulfonamido)succinate","","- C32 H31 N O7 S -","- C32 H31 N O7 S -","- C128 H124 N4 O28 S4 -","4","1","GZ3195","Mekki, Sofiane; Rolland, Valérie; Bellahouel, Salima; van der Lee, Arie; Rolland, Marc","Concomitant polymorphism in the stereoselective synthesis of a β-benzyl-β-hydroxyaspartate analogue","Acta Crystallographica Section C","2011","67","8","o301","o305","10.1107/S0108270111024632","","","1.54184","CuKα","","0.1063","0.0666","","","0.2229","0.2339","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018190","11.6937","0.0012","18.6458","0.0019","27.047","0.003","90","","90","","90","","5897.3","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-L-Val-L-Val-OMe","N-(tert-Butoxycarbonyl)-L-valyl-L-valine methyl ester","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","JZ3205","Jacobsen, Øyvind; Gebreslasie, Hadgu Girmay; Klaveness, Jo; Rongved, Pål; Görbitz, Carl Henrik","N-(tert-Butoxycarbonyl)-L-valyl-L-valine methyl ester: a twisted parallel β-sheet in the crystal structure of a protected dipeptide","Acta Crystallographica Section C","2011","67","8","o278","o282","10.1107/S0108270111022293","","","0.71073","MoKα","","0.0477","0.0364","","","0.0831","0.0889","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018191","6.116","0.003","15.662","0.007","17.967","0.008","90","","97.878","0.006","90","","1704.8","1.4","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(tert-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester","methyl 2-{2-[(tert-butoxycarbonyl)amino]-2-methylpropanamido}-2- methylpropanoate","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","JZ3206","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","N-(tert-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester: two polymorphic forms in the space group P2~1~/n","Acta Crystallographica Section C","2011","67","8","o283","o287","10.1107/S0108270111024322","","","0.71073","MoKα","","0.0927","0.0504","","","0.1091","0.1261","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018192","6.0679","0.0015","33.743","0.009","8.583","0.002","90","","92.266","0.003","90","","1756","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Boc-Aib-Aib-OMe","Methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-2-methylpropanamido)- 2-methylpropanoate","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","JZ3206","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","N-(tert-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester: two polymorphic forms in the space group P2~1~/n","Acta Crystallographica Section C","2011","67","8","o283","o287","10.1107/S0108270111024322","","","0.71073","MoKα","","0.122","0.0424","","","0.093","0.1253","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018193","19.255","0.001","5.7804","0.0004","16.9328","0.0006","90","","112.845","0.004","90","","1736.81","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-(ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane]","","- C16 H16 Br2 O4 S2 -","- C16 H16 Br2 O4 S2 -","- C64 H64 Br8 O16 S8 -","4","0.5","KU3047","Ahmed, Maqsood; Noureen, Sajida; Gros, Philippe C.; Guillot, Benoit; Jelsch, Christian","2,2'-(Ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100K refined using a multipolar atom model","Acta Crystallographica Section C","2011","67","8","o329","o333","10.1107/S0108270111027247","","","0.71073","MoKα","","0.0219","0.0212","","","0.0521","0.0527","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018194","9.5542","0.0005","18.7198","0.0009","21.1509","0.0012","90","","90","","90","","3782.9","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-fluoro-N-(1H-pyrrol-2-ylmethylidene)aniline","","- C11 H9 F N2 -","- C11 H9 F N2 -","- C176 H144 F16 N32 -","16","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0726","0.0383","","","0.0841","0.1","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018195","12.5935","0.0013","10.1843","0.0011","16.901","0.002","90","","107.035","0.005","90","","2072.6","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[(1H-pyrrol-2-ylmethylidene)amino]benzonitrile","","- C12 H9 N3 -","- C12 H9 N3 -","- C96 H72 N24 -","8","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0863","0.0401","","","0.082","0.0957","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018196","24.7962","0.0003","24.7962","0.0003","5.2924","0.0001","90","","90","","120","","2818.08","0.07","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone acetone 0.167-solvate","","- C6.5 H8 N O2.1667 -","- C6.51 H8.02 N O2.17 -","- C117.18 H144.36 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0666","0.0441","","","0.1118","0.13","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018197","24.9208","0.0005","24.9208","0.0005","5.2738","0.0001","90","","90","","120","","2836.47","0.1","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone propan-2-ol 0.167-solvate","","- C6.5 H8.3333 N O2.1667 -","- C6.51 H8.36 N O2.17 -","- C117.18 H150.48 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0622","0.0465","","","0.1206","0.1323","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018198","24.9131","0.0011","24.9131","0.0011","5.2462","0.0003","90","","90","","120","","2819.9","0.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0854","0.0519","","","0.1358","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018199","25.2734","0.0007","25.2734","0.0007","5.2602","0.0007","90","","90","","120","","2909.8","0.4","293","0.2","293","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.1131","0.0626","","","0.1642","0.1983","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018200","24.9194","0.0005","24.9194","0.0005","5.2541","0.001","90","","90","","120","","2825.6","0.5","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0642","0.0445","","","0.1219","0.1347","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018201","24.9344","0.0004","24.9344","0.0004","5.2415","0.0001","90","","90","","120","","2822.18","0.08","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0398","0.0373","","","0.1095","0.1129","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018202","25.282","0.006","25.282","0.006","5.1838","0.0014","90","","90","","120","","2869.5","1.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0948","0.0731","","","0.2201","0.2455","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018203","6.8802","0.0001","16.7892","0.0004","21.924","0.0005","90","","90","","90","","2532.51","0.09","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate dihydrate","","- C8 H12 Cl2 N4 O3 -","- C8 H12 Cl2 N4 O3 -","- C64 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (E)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.1108","0.0525","","","0.1175","0.1416","","","","","","1.054","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018204","7.0255","0.0001","10.0683","0.0002","11.758","0.0002","112.342","0.0008","93.9597","0.0009","107.427","0.0009","718.02","0.02","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","(E)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate methanol disolvate","","- C10 H16 Cl2 N4 O3 -","- C10 H16 Cl2 N4 O3 -","- C20 H32 Cl4 N8 O6 -","2","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (E)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0464","0.0349","","","0.088","0.0951","","","","","","1.057","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018205","15.963","0.0001","7.406","0.0002","21.793","0.0003","90","","90","","90","","2576.41","0.08","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-amino[(2,6-dichloro-4-hydroxystyryl)amino]methaniminium acetate","","- C10 H12 Cl2 N4 O3 -","- C10 H12 Cl2 N4 O3 -","- C80 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (E)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0503","0.0372","","","0.0919","0.0997","","","","","","1.091","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018206","12.0988","0.001","8.6425","0.0007","12.2023","0.001","90","","107.445","0.001","90","","1217.23","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trichloromethylimidoyl-4-methoxybenzamidine","4-methoxy-N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C10 H10 Cl3 N3 O -","- C10 H10 Cl3 N3 O -","- C40 H40 Cl12 N12 O4 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0327","0.0262","","","0.0613","0.0643","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018207","10.2999","0.0003","10.9423","0.0003","15.6902","0.0004","85.5518","0.0012","86.5092","0.0012","81.5436","0.0011","1741.67","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","trichloromethylimidoylbenzamidine","N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C54 H48 Cl18 N18 -","6","3","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.1068","0.0554","","","0.1265","0.1505","","","","","","0.968","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018208","5.762","0.002","22.711","0.008","9.713","0.004","90","","106.031","0.004","90","","1221.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-chlorobenzamidine","4-chloro-N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H7 Cl4 N3 -","- C9 H7 Cl4 N3 -","- C36 H28 Cl16 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.065","0.0501","","","0.1156","0.1221","","","","","","1.214","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018209","5.8124","0.0017","23.379","0.007","9.715","0.003","90","","107.407","0.003","90","","1259.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-bromobenzamidine","4-bromo-N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C36 H28 Br4 Cl12 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0285","0.0241","","","0.0606","0.0616","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018210","11.2939","0.0017","8.3914","0.0013","13.505","0.002","90","","95.505","0.002","90","","1274","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-trifluoromethylbenzamidine","4-trifluoromethyl-N'-(2,2,2-trichloroethanimidoyl)benzene- 1-carboximidamide","","- C10 H7 Cl3 F3 N3 -","- C10 H7 Cl3 F3 N3 -","- C40 H28 Cl12 F12 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related N'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0406","0.0362","","","0.0949","0.0983","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018211","10.5377","0.0018","12.358","0.002","28.533","0.005","90","","99.343","0.004","90","","3666.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate","","- C19 H64 N4 O19 U -","- C19 H64 N4 O19 U -","- C76 H256 N16 O76 U4 -","4","1","BG3140","Reed, Wendy A.; Oliver, Allen G.; Rao, Linfeng","Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate","Acta Crystallographica Section C","2011","67","9","m301","m303","10.1107/S0108270111032641","","","0.775","synchrotron","","0.0308","0.0273","","","0.071","0.0721","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018212","20.326","0.006","14.184","0.004","36.696","0.013","90","","94.89","0.03","90","","10541","6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(μ-4-chlorobenzoato- κ^2^O:O')(4-chlorobenzoato-κ^2^O,O')(4- chlorobenzoato-κO)tetrakis(μ^3^-2-pyridylmethanolato- κ^4^N,O:O:O)tetracopper(II)","","- C52 H40 Cl4 Cu4 N4 O12 -","- C52 H40 Cl4 Cu4 N4 O12 -","- C416 H320 Cl32 Cu32 N32 O96 -","8","1","BG3141","Moncol, Jan; Jomova, Klaudia; Zelenicky, Lubomir; Lis, Tadeusz; Valko, Marian","A tetranuclear copper(II) cluster: bis(μ-4-chlorobenzoato-κ^2^O:O')(4-chlorobenzoato-κ^2^O,O')(4-chlorobenzoato-κO)tetrakis(μ~3~-2-pyridylmethanolato-κ^4^N,O:O:O)tetracopper(II)","Acta Crystallographica Section C","2011","67","9","m318","m320","10.1107/S010827011103335X","","","0.71073","MoKα","","0.0598","0.0343","","","0.0655","0.0689","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018213","19.058","0.004","10.276","0.002","16.323","0.003","90","","90","","90","","3196.7","1.1","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5- dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI)","","- C23 H42 B Br Cu N7 S3 W -","- C23 H42 B Br Cu N7 S3 W -","- C92 H168 B4 Br4 Cu4 N28 S12 W4 -","4","1","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0416","0.0376","","","0.0819","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018214","12.808","0.003","11.768","0.002","22.569","0.005","90","","90","","90","","3401.7","1.2","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5- dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","","- C23 H42 B Br2 Cu2 N7 S3 W -","- C23 H42 B Br2 Cu2 N7 S3 W -","- C92 H168 B4 Br8 Cu8 N28 S12 W4 -","4","0.5","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0502","0.0434","","","0.1156","0.1196","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018215","11.6424","0.0003","10.7368","0.0003","7.6554","0.0002","90","","93.804","0.002","90","","954.83","0.04","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,5-dimethoxyterephthalic acid","2,5-dimethoxyterephthalic acid","","- C10 H10 O6 -","- C10 H10 O6 -","- C40 H40 O24 -","4","0.5","EG3074","Böhle, Tony; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.","Little change but great effect: varying supramolecular interactions in 2,5-dimethoxyterephthalic acid and 2,5-diethoxyterephthalic acid","Acta Crystallographica Section C","2011","67","9","o350","o353","10.1107/S0108270111030538","","","0.71073","MoKα","","0.0334","0.0293","","","0.0821","0.0841","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018216","3.9796","0.0002","15.7498","0.0007","9.3833","0.0004","90","","98.829","0.001","90","","581.16","0.05","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,5-diethoxyterephthalic acid","2,5-diethoxyterephthalic acid","","- C12 H14 O6 -","- C12 H14 O6 -","- C24 H28 O12 -","2","0.5","EG3074","Böhle, Tony; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.","Little change but great effect: varying supramolecular interactions in 2,5-dimethoxyterephthalic acid and 2,5-diethoxyterephthalic acid","Acta Crystallographica Section C","2011","67","9","o350","o353","10.1107/S0108270111030538","","","0.71073","MoKα","","0.0406","0.0333","","","0.0856","0.089","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018217","6.8522","0.0002","10.558","0.0004","14.3009","0.0006","82.862","0.003","84.892","0.002","86.091","0.003","1020.8","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol‒ 2-hydroxybenzoic acid (1/1)","","- C20 H18 F2 N6 O4 -","- C20 H18 F2 N6 O4 -","- C40 H36 F4 N12 O8 -","2","1","EM3042","Kastelic, Jože; Lah, Nina; Kikelj, Danijel; Leban, Ivan","A 1:1 cocrystal of fluconazole with salicylic acid","Acta Crystallographica Section C","2011","67","9","o370","o372","10.1107/S0108270111031155","","","0.71073","MoKα","","0.0691","0.0438","","","0.1005","0.1138","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018218","10.459","0.002","12.88","0.01","14.021","0.004","90","","124.069","0.015","90","","1564.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-3,4,5-trimethoxy-4'-nitrostilbene","(E)-1-nitro-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(E)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.1141","0.0454","","","0.1081","0.1346","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018219","7.512","0.002","7.895","0.001","26.441","0.006","90","","104.667","0.019","90","","1517","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitrobenzylidene-3,4,5-trimethoxyaniline","(E)-3,4,5-trimethoxy-N-(4-nitrobenzylidene)aniline","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(E)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.0613","0.0364","","","0.0906","0.1035","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018220","7.215","0.003","14.429","0.002","14.595","0.005","90","","90","","90","","1519.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,4,5-trimethoxybenzylidene-4-nitroaniline","(E)-4-nitro-N-(3,4,5-trimethoxybenzylidene)aniline","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(E)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.0622","0.052","","","0.1303","0.1405","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018221","9.983","0.0003","11.3023","0.0003","15.6037","0.0005","89.947","0.002","89.539","0.001","63.926","0.001","1581.34","0.08","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Pd_iii","trans-dichloridobis(triphenylphosphane)palladium(II)","","- C36 H30 Cl2 P2 Pd -","- C36 H30 Cl2 P2 Pd -","- C72 H60 Cl4 P4 Pd2 -","2","1","FG3223","Corrêa, Rodrigo S.; Graminha, Angélica E.; Ellena, Javier; Batista, Alzir A.","Weak C—H···Cl—Pd interactions toward conformational polymorphism in trans-dichloridobis(triphenylphosphane)palladium(II)","Acta Crystallographica Section C","2011","67","9","m304","m306","10.1107/S0108270111033051","","","0.71073","MoKα","","0.0989","0.046","","","","0.1275","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018222","9.3715","0.0002","14.2178","0.0002","13.8932","0.0002","90","","102.867","0.002","90","","1804.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2,2'-[1,1'-(o-phenylenedinitrilo)bis(ethan-1-yl-1- ylidene)]diphenolato}oxovanadium(IV)","","- C22 H18 N2 O3 V -","- C22 H18 N2 O3 V -","- C88 H72 N8 O12 V4 -","4","1","KU3049","Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna","A vanadyl Schiff base complex: {2,2'-[1,1'-(o-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV)","Acta Crystallographica Section C","2011","67","9","m287","m289","10.1107/S0108270111028277","","","0.71073","MoKα","","0.0266","0.0239","","","0.072","0.0731","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018223","16.351","0.005","11.534","0.004","14.075","0.005","90","","111.311","0.005","90","","2472.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(terpy)(pyz)](ClO4)2(CH3NO2)","(1H-Pyrazole-κN^2^)(2,2':6',2''-terpyridine- κ^3^N,N',N'')platinum(II) bis(perchlorate) nitromethane monosolvate","","- C19 H18 Cl2 N6 O10 Pt -","- C19 H18 Cl2 N6 O10 Pt -","- C76 H72 Cl8 N24 O40 Pt4 -","4","1","OV3005","Akerman, Matthew; Akerman, Kate; Jaganyi, Deogratius; Reddy, Desigan","(1H-Pyrazole-κN^2^)(2,2':6',2''-terpyridine-κ^3^N,N',N'')platinum(II) bis(perchlorate) nitromethane monosolvate","Acta Crystallographica Section C","2011","67","9","m290","m292","10.1107/S0108270111026011","","","0.71073","MoKα","","0.0582","0.0466","","","0.1253","0.1312","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018224","19.753","0.004","5.9369","0.0012","21.343","0.005","90","","101.271","0.003","90","","2454.7","0.9","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","N-(tert-Butoxycarbonyl)-O-allyl-L-seryl- α-aminoisobutyryl-L-valine methyl ester","(6S,12S)-methyl 6-(allyloxymethyl)-12-isopropyl-2,2,9,9-tetramethyl-4,7,10-trioxo-3-oxa- 5,8,11-triazatridecan-13-oate","","- C21 H37 N3 O7 -","- C21 H37 N3 O7 -","- C84 H148 N12 O28 -","4","1","SF3155","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","N-(tert-Butoxycarbonyl)-O-allyl-L-seryl-α-aminoisobutyryl-L-valine methyl ester: a protected tripeptide with an allylated serine residue","Acta Crystallographica Section C","2011","67","9","o359","o363","10.1107/S0108270111029647","","","0.71073","MoKα","","0.0528","0.0418","","","0.101","0.1069","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018225","7.1493","0.0014","16.137","0.003","17.01","0.003","90","","92.95","0.03","90","","1959.8","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane- κ^2^P:P'][O-ethyl (4-methoxyphenyl)phosphonodithioato- κ^2^S,S']silver(I)] chloroform monosolvate]","","- C37 H39 Ag Cl3 O2 P3 S2 -","- C37 H39 Ag Cl3 O2 P3 S2 -","- C74 H78 Ag2 Cl6 O4 P6 S4 -","2","1","SF3156","Sun, Di; Huang, Rong-Bin","catena-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^P:P'][O-ethyl (4-methoxyphenyl)phosphonodithioato-κ^2^S,S']silver(I)] chloroform monosolvate]","Acta Crystallographica Section C","2011","67","9","m315","m317","10.1107/S010827011103438X","","","0.71073","MoKα","","0.042","0.038","","","0.0718","0.074","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018226","13.464","0.003","18.572","0.004","20.49","0.004","77.42","0.03","89.01","0.03","77.94","0.03","4888","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(aqua-1κO)tetrakis(μ-2,3-diphenylprop-2-enoato- 1:2κ^2^O:O')bis(2,3-diphenylprop-2-enoato)- 1κO;2κO-(ethanol-2κO)bis(1,10-phenanthroline)- 1κ^2^N,N';2κ^2^N,N'-dilanthanum(III)","","- C116 H90 La2 N4 O14 -","- C116 H87 La2 N4 O14 -","- C232 H174 La4 N8 O28 -","2","1","SQ3293","Yang, Yunyun; Chai, Wenxiang; Song, Li; Lin, Jian","A photochromic dinuclear compound: aquatetrakis(μ-2,3-diphenylprop-2-enoato)bis(2,3-diphenylprop-2-enoato)ethanolbis(1,10-phenanthroline)dilanthanum(III)","Acta Crystallographica Section C","2011","67","9","m293","m296","10.1107/S0108270111030095","","","0.71075","MoKα","","0.1064","0.0585","","","0.1315","0.1694","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018227","10.64","0.002","9.272","0.0019","19.194","0.004","90","","99.55","0.03","90","","1867.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[silver(I)-μ-1,3-bis(4-pyridyl)propane] hemi(naphthalene-1,5-disulfonate) dihydrate]","","- C18 H21 Ag N2 O5 S -","- C18 H21 Ag N2 O5 S -","- C72 H84 Ag4 N8 O20 S4 -","4","1","SQ3295","Wu, Dong-Liang; Liu, Li; Luo, Geng-Geng","catena-Poly[[silver(I)-μ-1,3-bis(4-pyridyl)propane] hemi(naphthalene-1,5-disulfonate) dihydrate]: a three-dimensional metallo-supramolecular sandwich lamellar network","Acta Crystallographica Section C","2011","67","9","m311","m314","10.1107/S0108270111032902","","","0.71073","MoKα","","0.0325","0.0283","","","0.0641","0.0676","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018228","3.6954","0.0002","9.8579","0.0007","10.4254","0.0008","116.081","0.007","97.214","0.005","97.487","0.005","331","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4,4'-bipyridinium bis(hydrogen oxalate)","4,4'-bipyridineium bis(2-hydroxy-2-oxoacetate)","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","SU3065","Androš, Lidija; Planinić, Pavica; Jurić, Marijana","The supramolecular architecture in 4,4'-bipyridinium bis(hydrogen oxalate)","Acta Crystallographica Section C","2011","67","9","o337","o340","10.1107/S0108270111028162","","","0.71073","MoKα","","0.0493","0.0357","","","0.0918","0.0959","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018229","4.9045","0.0003","17.1342","0.001","12.6397","0.0006","90","","90.931","0.005","90","","1062.03","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentafluorophenol‒phenazine (2/1)","","- C24 H10 F10 N2 O2 -","- C24 H10 F10 N2 O2 -","- C48 H20 F20 N4 O4 -","2","0.5","SU3067","Czapik, Agnieszka; Gdaniec, Maria","5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine","Acta Crystallographica Section C","2011","67","9","o341","o345","10.1107/S0108270111027843","","","1.5418","CuKα","","0.047","0.0429","","","0.1213","0.1261","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018230","16.1015","0.0007","4.5223","0.0002","27.4753","0.0012","90","","97.315","0.004","90","","1984.35","0.15","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentafluorophenol‒phenazine (5/1)","","- C42 H13 F25 N2 O5 -","- C42 H13 F25 N2 O5 -","- C84 H26 F50 N4 O10 -","2","0.5","SU3067","Czapik, Agnieszka; Gdaniec, Maria","5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine","Acta Crystallographica Section C","2011","67","9","o341","o345","10.1107/S0108270111027843","","","1.5418","CuKα","","0.0483","0.0405","","","0.1096","0.1147","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018231","4.691","0.0002","10.1688","0.0006","14.5806","0.0008","90","","98.679","0.002","90","","687.56","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis[(pyridin-2-ylmethyl)sulfanyl]ethane","","- C14 H16 N2 S2 -","- C14 H16 N2 S2 -","- C28 H32 N4 S4 -","2","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0234","0.0216","","","0.0575","0.0589","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018232","7.8247","0.0005","7.8382","0.0005","14.1408","0.0009","90","","101.297","0.003","90","","850.47","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride","","- C14 H18 Cl2 N2 S2 -","- C14 H18 Cl2 N2 S2 -","- C28 H36 Cl4 N4 S4 -","2","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0304","0.0243","","","0.0574","0.06","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018233","13.6599","0.0009","8.5928","0.0006","14.8979","0.0011","90","","90","","90","","1748.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride","","- C14 H18 Cl2 N2 S2 -","- C14 H18 Cl2 N2 S2 -","- C56 H72 Cl8 N8 S8 -","4","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0333","0.0302","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018234","8.0458","0.0004","8.0633","0.0004","12.2332","0.0007","106.526","0.001","97.606","0.001","93.861","0.001","749.54","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-5-carboxybenzene-1,3-dicarboxylato- κ^2^O^1^:O^3^)bis[(2,2'-bi-1H-imidazole- κ^2^N^3^,N^3'^)zinc]","","- C30 H20 N8 O12 Zn2 -","- C30 H20 N8 O12 Zn2 -","- C30 H20 N8 O12 Zn2 -","1","0.5","SU3071","Jiang, Yun-Liang; Liu, Qing-Yan; Wang, Yu-Ling","Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^O^1^:O^3^)bis[(2,2'-bi-1H-imidazole-κ^2^N^3^,N^3'^)zinc]","Acta Crystallographica Section C","2011","67","9","m297","m300","10.1107/S0108270111031349","","","0.71073","MoKα","","0.0283","0.0254","","","0.0664","0.0681","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018235","9.4591","0.0013","10.094","0.002","24.37","0.004","90","","90","","90","","2326.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","O-Tosyl cinchonidine","O-Tosyl cinchonidine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0792","0.0638","","","0.1569","0.1672","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018236","6.835","0.0013","17.7364","0.0016","18.6632","0.0017","90","","90","","90","","2262.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","O-Tosyl cinchonine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0985","0.0509","","","0.1507","0.1765","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018237","4.2475","0.0001","12.3838","0.0002","14.0372","0.0002","90","","92.898","0.002","90","","737.42","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-chloro-2-oxindole","6-chloroindolin-2-one","","- C8 H6 Cl N O -","- C8 H6 Cl N O -","- C32 H24 Cl4 N4 O4 -","4","1","BI3021","Hachuła, Barbara; Zerzucha, Piotr; Zubko, Maciej; Kusz, Joachim","6-Chloro-2-oxindole: X-ray and DFT-calculated study","Acta Crystallographica Section C","2011","67","10","o413","o416","10.1107/S0108270111038005","","","0.71073","MoKα","","0.0263","0.0249","","","0.0677","0.0682","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018238","6.6577","0.0017","18.1234","0.0003","18.579","0.003","90","","90","","90","","2241.7","0.7","122","1","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Magnesium FDA","Hexaaquamagnesium(ii) (2,5-furandicarboxylate)","","- C6 H14 Mg O11 -","- C6 H14 Mg O11 -","- C48 H112 Mg8 O88 -","8","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0574","0.0354","","","0.0824","0.0917","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018239","9.2242","0.0005","18.4255","0.0009","6.5942","0.0008","90","","102.066","0.006","90","","1095.99","0.16","122","1","122","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nickel FDA","Hexaaquanickel(ii) (2,5-furandicarboxylate)","","- C6 H14 Ni O11 -","- C6 H14 Ni O11 -","- C24 H56 Ni4 O44 -","4","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0411","0.0281","","","0.0561","0.0601","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018240","11.6138","0.0002","13.0673","0.0003","13.9152","0.0003","90","","92.617","0.0015","90","","2109.58","0.08","150.6","","150.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","succinylcholinium diiodide","trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium diiodide","","- C14 H30 I2 N2 O4 -","- C14 H30 I2 N2 O4 -","- C56 H120 I8 N8 O16 -","4","1","BM3107","Pažout, Richard; Maixner, Jaroslav; Dušek, Michal; Kratochvíl, Bohumil","A new polymorph of succinylcholinium diiodide: comparison of succinylcholinium structures","Acta Crystallographica Section C","2011","67","10","o391","o393","10.1107/S0108270111033245","","","0.7107","MoKα","","0.0215","0.0187","","","0.0371","0.0376","","","","","","2.41","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018241","5.0416","0.0007","7.4621","0.001","12.1396","0.0016","80.248","0.002","80.8","0.002","75.657","0.002","432.74","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Xanthinium nitrate hydrate","2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-7-ium nitrate monohydrate","","- C5 H7 N5 O6 -","- C5 H7 N5 O6 -","- C10 H14 N10 O12 -","2","1","DN3164","Sridhar, Balasubramanian","Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine‒inorganic acid complexes","Acta Crystallographica Section C","2011","67","10","o382","o386","10.1107/S0108270111036493","","","0.71073","MoKα","","0.039","0.0368","","","0.1002","0.1021","","","","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018242","5.183","0.005","24.805","0.005","7.701","0.005","90","","103.51","0.005","90","","962.7","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Xanthinium hydrogen sulfate hydrate","2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-7-ium hydrogen sulfate monohydrate","","- C5 H8 N4 O7 S -","- C5 H8 N4 O7 S -","- C20 H32 N16 O28 S4 -","4","2","DN3164","Sridhar, Balasubramanian","Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine‒inorganic acid complexes","Acta Crystallographica Section C","2011","67","10","o382","o386","10.1107/S0108270111036493","","","0.71073","MoKα","","0.0301","0.0298","","","0.0794","0.0798","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018243","7.873","0.003","10.225","0.003","17.006","0.006","90","","97.014","0.004","90","","1358.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[{μ~4~-4-[(carboxyatomethyl)sulfanyl]benzoato}(N,N- dimethylformamide)zinc]","","- C12 H13 N O5 S Zn -","- C12 H13 N O5 S Zn -","- C48 H52 N4 O20 S4 Zn4 -","4","1","EM3043","Zhang, Ming-Xing; Jiao, Xiao-Yan; Chen, Xin; Huang, Kun-Lin","A binuclear zinc polymer with paddlewheel building units and intersecting helical chains based on a flexible 4-[(carboxymethyl)sulfanyl]benzoic acid ligand","Acta Crystallographica Section C","2011","67","10","m324","m326","10.1107/S0108270111032811","","","0.71073","MoKα","","0.0555","0.0367","","","0.0789","0.0907","","","","","","1.002","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018244","7.1426","0.0018","21.156","0.005","8.623","0.002","90","","108.51","0.005","90","","1235.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 1-ethyl-7-fluoro-4-quinolone-3-carboxylate","Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C14 H14 F N O3 -","- C14 H14 F N O3 -","- C56 H56 F4 N4 O12 -","4","1","EM3044","Langer, Vratislav; Mach, Pavel; Smrčok, Ľubomír; Plevová, Kristína; Milata, Viktor","Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate: X-ray and DFT studies","Acta Crystallographica Section C","2011","67","10","o421","o424","10.1107/S0108270111038649","","","0.71073","MoKα","","0.0937","0.0536","","","0.1178","0.1318","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018245","11.4132","0.0004","8.8555","0.0003","17.1797","0.0004","90","","90.5787","0.0017","90","","1736.26","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2RS,3RS)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4- tetrahydronaphthalen-2-ol","","- C20 H25 N3 O -","- C20 H25 N3 O -","- C80 H100 N12 O4 -","4","1","FA3258","Assaad, Thaer; Rukiah, Mwaffak","Powder X-ray study of racemic (2RS,3RS)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol","Acta Crystallographica Section C","2011","67","10","o378","o381","10.1107/S0108270111036869","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.37","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018246","9.6736","0.0002","7.6203","0.0001","10.6303","0.0002","90","","107.142","0.002","90","","748.81","0.02","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","Plumeridoid C","(2'R,3R,4R,4aS,7aR)-methyl 3-hydroxy-4'-[(S)-1-hydroxyethyl]-5'-oxo- 3,4,4a,7a-tetrahydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate","","- C15 H18 O7 -","- C15 H18 O7 -","- C30 H36 O14 -","2","1","FA3259","Waltenberger, Birgit; Rollinger, Judith M.; Griesser, Ulrich J.; Stuppner, Hermann; Gelbrich, Thomas","Plumeridoid C from the Amazonian traditional medicinal plant Himatanthus sucuuba","Acta Crystallographica Section C","2011","67","10","o409","o412","10.1107/S0108270111035761","","","1.5418","CuKα","","0.0295","0.0291","","","0.0799","0.0806","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018247","6.315","0.0003","9.8178","0.0004","9.8398","0.0004","90","","94.486","0.004","90","","608.19","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(tribromomethyl)benzene","","- C8 H4 Br6 -","- C8 H4 Br6 -","- C16 H8 Br12 -","2","0.5","FA3260","Jones, Peter G.; Hopf, Henning; Silaghi, Anamaria; Näther, Christian","Concomitant but disappearing: two polymorphs of 1,4-bis(tribromomethyl)benzene","Acta Crystallographica Section C","2011","67","10","o405","o408","10.1107/S0108270111037930","","","0.71073","MoKα","","0.0238","0.0153","","","0.0256","0.026","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018248","10.164","0.0009","6.5048","0.0007","19.341","0.0017","90","","102.152","0.009","90","","1250.1","0.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-bis(tribromomethyl)benzene","","- C8 H4 Br6 -","- C8 H4 Br6 -","- C32 H16 Br24 -","4","0.5","FA3260","Jones, Peter G.; Hopf, Henning; Silaghi, Anamaria; Näther, Christian","Concomitant but disappearing: two polymorphs of 1,4-bis(tribromomethyl)benzene","Acta Crystallographica Section C","2011","67","10","o405","o408","10.1107/S0108270111037930","","","1.54184","CuKα","","0.0406","0.0368","","","0.0998","0.1028","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018249","4.97","0.004","9.034","0.009","15.544","0.014","90","","90","","90","","697.9","1.1","203","1","203","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","anisaldehyde","4-methoxybenzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.0536","0.036","","","0.0653","0.071","","","","","","0.94","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018250","6.3945","0.0003","13.8939","0.0009","6.9172","0.0004","90","","103.262","0.003","90","","598.17","0.06","233","2","233","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Salicylylaldehyde","2-hydroxybenzaldehyde","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.1095","0.0573","","","0.1511","0.185","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018251","5.9626","0.0002","12.9977","0.0003","9.2522","0.0002","90","","94.282","0.002","90","","715.04","0.03","173","1","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cinnamaldehyde","(2E)-3-phenylprop-2-enal","","- C9 H8 O -","- C9 H8 O -","- C36 H32 O4 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.0542","0.0498","","","0.1219","0.125","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018252","18.999","0.001","6.7318","0.0004","21.1835","0.0011","90","","101.887","0.004","90","","2651.2","0.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb1.0005 Te4 -","- N8 O88 Rb8.004 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~x~ coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.71069","MoKα","","0.0794","0.0367","","","0.038","0.0429","","","","","","1.5","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018253","18.77","0.004","6.645","0.004","20.8","0.007","90","","101.61","0.18","90","","2541","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~x~ coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","Synchrotron","","0.1251","0.1251","","","0.1149","0.1149","","","","","","3.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018254","18.604","0.004","6.583","0.002","20.295","0.011","90","","101.5","0.2","90","","2436","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~x~ coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.108","0.108","","","0.0923","0.0923","","","","","","2.97","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018255","18.501","0.003","6.542","0.001","20.045","0.007","90","","101.41","0.1","90","","2378.2","1.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~x~ coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.0981","0.0981","","","0.0854","0.0854","","","","","","2.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018256","18.344","0.004","6.473","0.003","19.62","0.01","90","","101.4","0.2","90","","2284","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~x~ coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.1192","0.1189","","","0.0962","0.0962","","","","","","3.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018257","7.295","0.002","7.295","0.002","10.578","0.004","90","","90","","90","","562.9","0.3","296","2","296","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","dysprosium molybdate","Dysprosium orthomolybdate","","- Dy2 Mo3 O12 -","- Dy2 Mo3 O12 -","- Dy4 Mo6 O24 -","2","0.25","LG3065","Dorzhieva, Sesegma; Chumak, Ihor; Sarapulova, Angelina; Mikhailova, Daria; Bazarova, Jibzema; Ehrenberg, Helmut","A tetragonal form of dysprosium orthomolybdate at room temperature","Acta Crystallographica Section C","2011","67","10","i50","i52","10.1107/S0108270111033713","","","0.71073","MoKα","","0.0373","0.0291","","","0.0425","0.0447","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018258","10.5043","0.0013","9.6449","0.0011","10.4428","0.0014","92.69","0.03","98.29","0.03","87.45","0.03","1045","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","","- C20 H32 B2 N4 -","- C20 H32 B2 N4 -","- C40 H64 B4 N8 -","2","1","MX3055","Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A.","A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","Acta Crystallographica Section C","2011","67","10","o394","o396","10.1107/S0108270111039230","","","0.71073","MoKα","","0.0714","0.0529","","","0.1353","0.1496","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018259","10.4957","0.0011","9.6327","0.001","10.5554","0.0011","90","","98.06","0.02","90","","1056.6","0.2","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","","- C20 H32 B2 N4 -","- C20 H32 B2 N4 -","- C40 H64 B4 N8 -","2","0.5","MX3055","Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A.","A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","Acta Crystallographica Section C","2011","67","10","o394","o396","10.1107/S0108270111039230","","","0.71073","MoKα","","0.0621","0.0428","","","0.1153","0.128","","","","","","1.052","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018260","32.929","0.003","10.2492","0.0006","17.634","0.0019","90","","111.1","0.012","90","","5552.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Butylpyridinium undecachlorocarbadodecaborate","","- C10 H15 B11 Cl11 N -","- C10 H15 B11 Cl11 N -","- C80 H120 B88 Cl88 N8 -","8","1","SF3157","Suarez, Sebastian A.; Foi, Ana; Eady, Shawn; Larsen, Anna; Doctorovich, Fabio","N-Butylpyridinium undecachlorocarbadodecaborate and comparison with similar compounds","Acta Crystallographica Section C","2011","67","10","o417","o420","10.1107/S0108270111035165","","","0.71073","MoKα","","0.1042","0.0712","","","","0.2328","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018261","7.373","0.006","13.06","0.01","16.8","0.012","89.633","0.012","88.194","0.012","84.838","0.011","1610","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,4-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","4","SK3415","Zeller, Matthias; Stouffer, Jake L.; Solomon, Virgil C.; Curtin, Larry S.","High-Z' and twinning behavior in 3,4-dinitrobenzoic acid","Acta Crystallographica Section C","2011","67","10","o397","o404","10.1107/S0108270111035797","","","0.71073","MoKα","","0.0836","0.0623","","","0.1516","0.1644","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018262","9.3597","0.0015","17.198","0.003","9.6857","0.0016","90","","100.187","0.002","90","","1534.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraaquabis[5-(3-pyridyl-κN)pyrimidine]zinc(II) bis(trifluoromethanesulfonate)","","- C20 H22 F6 N6 O10 S2 Zn -","- C20 H22 F6 N6 O10 S2 Zn -","- C40 H44 F12 N12 O20 S4 Zn2 -","2","0.5","SQ3296","Hou, Gui-Ge; Ma, Li-Ying; Dai, Xian-Ping","Tetraaquabis[5-(3-pyridyl-κN)pyrimidine]zinc(II) bis(trifluoromethanesulfonate): a novel cationic complex and three-dimensional hydrogen-bonded network","Acta Crystallographica Section C","2011","67","10","m321","m323","10.1107/S0108270111036274","","","0.71073","MoKα","","0.0741","0.0658","","","0.1895","0.1994","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018263","3.9983","0.0001","9.2595","0.0002","19.8227","0.0005","89.67","0.001","84.947","0.001","86.708","0.001","729.82","0.03","292","2","292","2","","","","","","","","4","P -1","-P 1","2","p-phenetidinium hydrogen phthalate","4-ethoxyanilinium 2-carboxybenzoate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C32 H34 N2 O10 -","2","1","TP3002","Jagan, R.; Sivakumar, K.","Self-assembled supramolecular sheet- and channel-type frameworks in the p-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts","Acta Crystallographica Section C","2011","67","10","o373","o377","10.1107/S010827011103246X","","","0.71073","MoKα","","0.0522","0.0424","","","0.1115","0.1235","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018264","16.9402","0.0004","14.1463","0.0003","11.6407","0.0002","90","","90","","90","","2789.59","0.1","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","cyclohexylaminium hydrogen phthalate hemihydrate","cyclohexylaminium 2-carboxybenzoate hemihydrate","","- C14 H20 N O4.5 -","- C14 H20 N O4.5 -","- C112 H160 N8 O36 -","8","1","TP3002","Jagan, R.; Sivakumar, K.","Self-assembled supramolecular sheet- and channel-type frameworks in the p-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts","Acta Crystallographica Section C","2011","67","10","o373","o377","10.1107/S010827011103246X","","","0.71073","MoKα","","0.0841","0.0478","","","0.1248","0.1474","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018265","37.574","0.003","8.5769","0.0004","15.661","0.001","90","","105.938","0.008","90","","4853","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{bis[(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]amine}(3,5- dimethyl-1H-pyrazole-κN^2^)(perchlorato-κO)copper(II) perchlorate","","- C17 H27 Cl2 Cu N7 O8 -","- C17 H27 Cl2 Cu N7 O8 -","- C136 H216 Cl16 Cu8 N56 O64 -","8","1","YF3005","Yu, Fan","In situ synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.1075","0.0485","","","0.0772","0.0876","","","","","","0.877","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018266","16.498","0.003","16.912","0.003","23.552","0.005","90","","90","","90","","6571","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{bis[(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]amine}bis(3,5- dimethyl-1H-pyrazole-κN^2^)copper(II) bis(hexafluoridophosphate)","","- C22 H35 Cu F12 N9 P2 -","- C22 H35 Cu F12 N9 P2 -","- C176 H280 Cu8 F96 N72 P16 -","8","1","YF3005","Yu, Fan","In situ synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.0618","0.0527","","","0.1619","0.1694","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018267","15.2796","0.0018","15.2796","0.0018","15.2796","0.0018","90","","90","","90","","3567.3","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]cobalt(II)","","- C6 H21 B6 Co N3 O13 -","- C6 H21 B6 Co N3 O13 -","- C48 H168 B48 Co8 N24 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0237","0.0229","","","0.0639","0.0645","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018268","15.2217","0.0018","15.2217","0.0018","15.2217","0.0018","90","","90","","90","","3526.9","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]nickel(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]nickel(II)","","- C6 H21 B6 N3 Ni O13 -","- C6 H21 B6 N3 Ni O13 -","- C48 H168 B48 N24 Ni8 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0536","0.0438","","","0.0921","0.107","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018269","6.9034","0.0002","11.3549","0.0004","15.3196","0.0006","70.713","0.004","83.131","0.003","89.141","0.003","1124.95","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[(μ~4~-adamantane-1,3-dicarboxylato- κ^5^O^1^:O^1'^:O^3^,O^3'^:O^3'^)(μ~3~- adamantane-1,3-dicarboxylato- κ^5^O^1^,O^1'^:O^3^,O^3'^:O^3'^) dimagnesium]","","- C24 H28 Mg2 O8 -","- C24 H28 Mg2 O8 -","- C48 H56 Mg4 O16 -","2","1","BM3110","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Poly[(μ~4~-adamantane-1,3-dicarboxylato-κ^5^O^1^:O^1'^:O^3^,O^3'^:O^3'^)(μ~3~-adamantane-1,3-dicarboxylato-κ^5^O^1^,O^1'^:O^3^,O^3'^:O^3'^)dimagnesium]: a layered coordination polymer","Acta Crystallographica Section C","2011","67","11","m335","m337","10.1107/S0108270111037954","","","0.71073","MoKα","","0.0841","0.0531","","","0.1321","0.1535","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018270","12.6234","0.0003","8.90929","0.00016","17.2752","0.0003","90","","102.854","0.0011","90","","1894.18","0.07","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2RS,3RS)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]- 1,2,3,4-tetrahydronaphthalen-2-ol","","- C21 H27 N3 O2 -","- C21 H27 N3 O2 -","- C84 H108 N12 O8 -","4","1","CU3006","Assaad, Thaer; Rukiah, Mwaffak","Powder X-ray study of racemic (2RS,3RS)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol","Acta Crystallographica Section C","2011","67","11","o469","o472","10.1107/S0108270111040844","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.65","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018271","18.229","0.002","11.7659","0.0013","8.1599","0.001","90","","94.852","0.004","90","","1743.9","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3,5-Difluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H15 F2 N O2 -","- C24 H15 F2 N O2 -","- C96 H60 F8 N4 O8 -","4","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated N-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.0539","0.0484","","","0.1097","0.1124","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018272","17.687","0.002","12.3369","0.0014","8.1066","0.0009","90","","95.716","0.007","90","","1760.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,4,6-Trifluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H14 F3 N O2 -","- C24 H14 F3 N O2 -","- C96 H56 F12 N4 O8 -","4","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated N-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.0544","0.0385","","","0.0966","0.1058","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018273","18.259","0.004","24.104","0.006","8.4301","0.0018","90","","90","","90","","3710.2","1.5","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","N-(2,3,4,5,6-Pentafluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H12 F5 N O2 -","- C24 H12 F5 N O2 -","- C192 H96 F40 N8 O16 -","8","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated N-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.1369","0.0636","","","0.1317","0.1743","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018274","9.913","0.0008","16.5329","0.0013","9.9992","0.0008","90","","98.023","0.001","90","","1622.7","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","2-Methyl-4-(4-methylpiperazin-1-yl)-10H- thieno[2,3-b][1,5]benzodiazepin","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","EG3078","Thakuria, Ranjit; Nangia, Ashwini","Polymorphic form IV of olanzapine","Acta Crystallographica Section C","2011","67","11","o461","o463","10.1107/S0108270111043952","","","0.71073","MoKα","","0.0506","0.0466","","","0.1164","0.1192","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018275","9.068","0.003","7.513","0.002","16.126","0.004","90","","103.55","0.03","90","","1068.1","0.5","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate monohydrate","","- C6 H12 N2 O7 P2 -","- C6 H12 N2 O7 P2 -","- C24 H48 N8 O28 P8 -","4","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0745","0.0553","","","0.1283","0.1342","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018276","9.172","0.003","14.802","0.004","7.589","0.002","90","","104.35","0.03","90","","998.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate","","- C6 H10 N2 O6 P2 -","- C6 H10 N2 O6 P2 -","- C24 H40 N8 O24 P8 -","4","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.1386","0.0482","","","0.0485","0.0563","","","","","","0.815","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018277","7.667","0.002","8.364","0.002","9.283","0.003","109.41","0.03","105.31","0.03","92.39","0.03","536","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hydrogen {phosphono[(2-chloropyridin-1-ium-3-yl)amino]methyl}phosphonate","","- C6 H9 Cl N2 O6 P2 -","- C6 H9 Cl N2 O6 P2 -","- C12 H18 Cl2 N4 O12 P4 -","2","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0303","0.0273","","","0.0735","0.0747","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018278","8.555","0.002","7.585","0.002","24.56","0.005","90","","94.32","0.03","90","","1589.2","0.6","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","bis(6-chloropyridin-3-aminium) [hydrogen bis({[2-chloropyridin-1-ium-3-yl(0.5+)]amino}methylenediphosphonate)]","","- C22 H28 Cl4 N8 O12 P4 -","- C22 H28 Cl4 N8 O12 P4 -","- C44 H56 Cl8 N16 O24 P8 -","2","0.5","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0677","0.0412","","","0.0851","0.0897","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018279","9.7764","0.0015","12.0384","0.0014","12.8889","0.0015","81.491","0.003","72.328","0.005","88.39","0.005","1429.2","0.3","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","3-chloro-2-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C60 H40 Cl4 N12 O16 -","4","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.053","0.0366","","","0.1042","0.1115","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018280","12.2261","0.0005","16.9779","0.0007","14.4537","0.0006","90","","106.896","0.0013","90","","2870.7","0.2","190","1","190","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-chloro-2-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C120 H80 Cl8 N24 O32 -","8","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.0507","0.0416","","","0.117","0.1226","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018281","6.9197","0.0005","14.4263","0.0012","14.475","0.0009","81.704","0.002","79.0781","0.0018","85.647","0.002","1402.2","0.18","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","4-chloro-3-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C60 H40 Cl4 N12 O16 -","4","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.0852","0.0574","","","0.1426","0.1538","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018282","4.0969","0.0006","4.0969","0.0006","13.602","0.003","90","","90","","120","","197.72","0.06","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","scandium telluride","","- Sc Te -","- Sc Te -","- Sc4 Te4 -","4","0.166667","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0377","0.0358","","","0.0785","0.0805","","","","","","1.566","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018283","8.059","0.003","8.059","0.003","3.907","0.003","90","","90","","90","","253.7","0.2","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","triyttrium digold","","- Au2 Y3 -","- Au2 Y3 -","- Au4 Y6 -","2","0.125","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.041","0.0297","","","0.0648","0.0687","","","","","","0.933","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018284","7.115","0.003","4.933","0.002","8.908","0.004","90","","90","","90","","312.7","0.2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","diyttrium gold","","- Au Y2 -","- Au Y2 -","- Au4 Y8 -","4","0.5","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0314","0.0258","","","0.056","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018285","14.9026","0.0015","7.8804","0.0008","7.4012","0.0007","90","","104.836","0.001","90","","840.21","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5-bis(bromomethyl)-1,3-dithiol-2-one","","- C5 H4 Br2 O S2 -","- C5 H4 Br2 O S2 -","- C20 H16 Br8 O4 S8 -","4","0.5","FN3090","Arumugam, Kuppuswamy; Clark, Daniel Seth; Mague, Joel T.; Donahue, James P.","The dithiolene ligand and tetrathiafulvalene precursor molecules 4,5-bis(bromomethyl)-1,3-dithiol-2-one and 4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","Acta Crystallographica Section C","2011","67","11","o446","o449","10.1107/S0108270111040431","","","0.71073","MoKα","","0.018","0.0164","","","0.043","0.0435","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018286","15.078","0.003","8.1736","0.0014","8.3628","0.0015","90","","99.188","0.002","90","","1017.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","","- C5 H8 O7 P2 S2 -","- C5 H8 O7 P2 S2 -","- C20 H32 O28 P8 S8 -","4","0.5","FN3090","Arumugam, Kuppuswamy; Clark, Daniel Seth; Mague, Joel T.; Donahue, James P.","The dithiolene ligand and tetrathiafulvalene precursor molecules 4,5-bis(bromomethyl)-1,3-dithiol-2-one and 4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","Acta Crystallographica Section C","2011","67","11","o446","o449","10.1107/S0108270111040431","","","0.71073","MoKα","","0.0254","0.024","","","0.0676","0.0686","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018287","13.9959","0.0005","13.9959","0.0005","13.9959","0.0005","90","","90","","90","","2741.59","0.17","123","2","123","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","cobalt(II) dicarbonate trisodium chloride","","- C2 Cl Co Na3 O6 -","- C2 Cl Co Na3 O6 -","- C32 Cl16 Co16 Na48 O96 -","16","0.166667","FN3091","Zheng, Yanzhen; Ellern, Arkady; Kögerler, Paul","A spin-frustrated cobalt(II) carbonate pyrochlore network","Acta Crystallographica Section C","2011","67","11","i56","i58","10.1107/S0108270111043605","","","0.71073","MoKα","","0.0157","0.0155","","","0.0467","0.0468","","","","","","1.301","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018288","18.068","0.004","9.346","0.002","18.209","0.004","90","","96.421","0.006","90","","3055.5","1.2","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-benzene-1,2,4,5-tetracarboxylato)bis[μ~2~-1,3- bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]","","- C59 H68 Co2 N6 O25 -","- C59 H68 Co2 N6 O25 -","- C118 H136 Co4 N12 O50 -","2","0.5","GG3260","Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo","Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-5-carboxybenzene-1,2,4-tricarboxylato)bis[μ~2~-1,3-bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]","Acta Crystallographica Section C","2011","67","11","m367","m370","10.1107/S0108270111043551","","","0.71073","MoKα","","0.057","0.0423","","","0.1054","0.115","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018289","12.5738","0.0001","12.5738","0.0001","19.5895","0.0003","90","","90","","90","","3097.11","0.06","100","1","100","1","","","","","","","","5","P -4 21 c","P -4 2n","114","","poly[dicaesium(I) hexaaquacobalt(II) [octaaqua-tetra-μ-citrato-hexacobalt(II)] dodecahydrate]","","- C24 H68 Co7 Cs2 O54 -","- C24 H56 Co7 Cs2 O54 -","- C48 H112 Co14 Cs4 O108 -","2","0.25","GZ3201","Falvello, Larry R.; Forcén-Vázquez, Elena; Mayoral, Isabel; Tomás, Milagros; Palacio, Fernando","A square two-dimensional polymer of cobalt citrate cubanes","Acta Crystallographica Section C","2011","67","11","m359","m363","10.1107/S0108270111043587","","","0.71073","MoKα","","0.0454","0.0372","","","0.0918","0.0935","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018290","12.6198","0.0003","7.8465","0.0002","10.7699","0.0003","90","","92.2261","0.0017","90","","1065.64","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(Z)-2-(Methylsulfanyl)ethenyl]-1-phenyl-1H-1,2,3-triazole","","- C11 H11 N3 S -","- C11 H11 N3 S -","- C44 H44 N12 S4 -","4","1","GZ3202","Stöger, Berthold; Lumpi, Daniel; Fröhlich, Johannes","4-[(Z)-2-(Methylsulfanyl)ethenyl]-1-phenyl-1H-1,2,3-triazole: an order‒disorder (OD) interpretation of twinning","Acta Crystallographica Section C","2011","67","11","o464","o468","10.1107/S0108270111043083","","","0.71073","MoKα","","0.0718","0.0479","","","0.1009","0.1114","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018291","11.817","0.003","9.871","0.002","14.106","0.003","90","","95.305","0.004","90","","1638.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2-(carboxylatomethyl)benzoato- κ^3^O^1^:O^2^:O^2^]-bis(1H-imidazole- κN^3^)copper(II)]","","- C15 H14 Cu N4 O4 -","- C15 H14 Cu N4 O4 -","- C60 H56 Cu4 N16 O16 -","4","1","KU3055","Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo","Poly[[μ~3~-2-(carboxylatomethyl)benzoato-κ^3^O^1^:O^2^:O^2^]bis(1H-imidazole-κN^3^)copper(II)]","Acta Crystallographica Section C","2011","67","11","m342","m345","10.1107/S0108270111041187","","","0.71073","MoKα","","0.0573","0.0417","","","0.0992","0.1091","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018292","36.627","0.004","12.5071","0.001","7.5769","0.0004","90","","90","","90","","3471","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-3-Methyl-N-(7-nitroacridin-3-yl)-2,3-dihydro- 1,3-benzothiazol-2-imine","","- C21 H14 N4 O2 S -","- C21 H14 N4 O2 S -","- C168 H112 N32 O16 S8 -","8","1","LG3066","Vallcorba, Oriol; Latorre, Sonia; Alcobé, Xavier; Miravitlles, Carles; Rius, Jordi","(Z)-3-Methyl-N-(7-nitroacridin-3-yl)-2,3-dihydro-1,3-benzothiazol-2-imine from laboratory powder diffraction data","Acta Crystallographica Section C","2011","67","11","o425","o427","10.1107/S0108270111039916","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.667","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018293","12.8309","0.0002","14.0813","0.0002","19.1638","0.0003","73.0175","0.0006","76.4127","0.0005","86.6877","0.0006","3218.56","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(dimethylamine‒dimethylaminoborane‒borane- κ^2^H,H')dihydridobis(triisopropylphosphane- κP)rhodium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C54 H74 B3 F24 N2 P2 Rh -","- C54 H74 B3 F24 N2 P2 Rh -","- C108 H148 B6 F48 N4 P4 Rh2 -","2","1","OV3008","Chaplin, Adrian B.; Weller, Andrew S.","A rhodium(III) complex of the linear diborazine H~3~B·NMe~2~BH~2~·NMe~2~H: an intermediate in the dehydrocoupling of H~3~B·NMe~2~H","Acta Crystallographica Section C","2011","67","11","m355","m358","10.1107/S0108270111043447","","","0.71073","MoKα","","0.0612","0.0472","","","0.1192","0.1293","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018294","5.4761","0.0011","10.477","0.002","19.896","0.004","75.31","0.03","88.67","0.03","78.54","0.03","1081.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","trans-bis(1H-benzimidazole-2-carboxylato- κ^2^N^3^,O)bis(ethanol-κO)cadmium","","- C20 H22 Cd N4 O6 -","- C20 H22 Cd N4 O6 -","- C40 H44 Cd2 N8 O12 -","2","1","QS3005","Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang","Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds","Acta Crystallographica Section C","2011","67","11","m346","m350","10.1107/S0108270111041837","","","0.71073","MoKα","","0.0672","0.0557","","","0.1547","0.1611","","","","","","1.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018295","10.321","0.002","12.923","0.003","11.495","0.002","90","","112.21","0.03","90","","1419.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-bis(1H-benzimidazole-κN^3^)bis(1H- benzimidazole-2-carboxylato-κ^2^N^3^,O)nickel(II)","","- C30 H22 N8 Ni O4 -","- C30 H22 N8 Ni O4 -","- C60 H44 N16 Ni2 O8 -","2","0.5","QS3005","Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang","Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds","Acta Crystallographica Section C","2011","67","11","m346","m350","10.1107/S0108270111041837","","","0.71073","MoKα","","0.0412","0.0349","","","0.0917","0.0963","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018296","11.1825","0.0018","6.9752","0.0012","8.793","0.0015","90","","90","","90","","685.9","0.2","297","2","297","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Racemic epi-inosose","(2RS,3SR,5SR,6SR)-epi-inosose","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","1","SF3158","Krishnaswamy, Shobhana; Patil, Madhuri T.; Shashidhar, Mysore S.","Comparison of racemic epi-inosose and ({-})-epi-inosose","Acta Crystallographica Section C","2011","67","11","o435","o438","10.1107/S0108270111039412","","","0.71073","MoKα","","0.0265","0.0263","","","0.0679","0.068","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018297","7.6094","0.0005","12.9888","0.0006","20.8838","0.0014","90","","99.179","0.005","90","","2037.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminopyrimidine‒6-propyl-2-thiouracil (1/2)","2-aminopyrimidine bis(6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)","","- C18 H25 N7 O2 S2 -","- C18 H25 N7 O2 S2 -","- C72 H100 N28 O8 S8 -","4","1","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O versus N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.047","0.0366","","","0.0983","0.1047","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018298","37.9355","0.0012","76.88","0.003","10.5666","0.0003","90","","90","","90","","30817.3","1.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","N-(6-acetamidopyridin-2-yl)acetamide‒6-propyl-2-thiouracil (1/2)","N-(6-acetamidopyridin-2-yl)acetamide bis(6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)","","- C23 H31 N7 O4 S2 -","- C23 H31 N7 O4 S2 -","- C1104 H1488 N336 O192 S96 -","48","3","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O versus N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0742","0.0468","","","0.0891","0.0966","","","","","","0.906","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018299","10.434","0.0006","11.132","0.0006","28.709","0.0017","90","","90","","90","","3334.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-propyl-2-thiouracil","6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O versus N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0918","0.0463","","","0.0815","0.0926","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018300","14.4471","0.0018","7.5774","0.0007","11.7526","0.0015","90","","107.279","0.01","90","","1228.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine","","- C12 H13 Cl N4 -","- C12 H13 Cl N4 -","- C48 H52 Cl4 N16 -","4","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1469","0.131","","","0.3237","0.3333","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018301","13.5596","0.0009","7.7212","0.0004","16.287","0.0011","90","","111.609","0.005","90","","1585.35","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine dimethyl sulfoxide monosolvate","","- C14 H19 Cl N4 O S -","- C14 H19 Cl N4 O S -","- C56 H76 Cl4 N16 O4 S4 -","4","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.0475","0.0409","","","0.1048","0.1096","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018302","9.5221","0.0014","10.8372","0.0015","18.65","0.002","101.937","0.011","99.555","0.011","98.892","0.012","1820.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine N-methylpyrrolidin-2-one monosolvate","","- C17 H22 Cl N5 O -","- C17 H22 Cl N5 O -","- C68 H88 Cl4 N20 O4 -","4","2","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1571","0.0787","","","0.1915","0.2264","","","","","","0.926","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018303","6.7742","0.0006","9.2265","0.0008","17.3345","0.0015","95.363","0.007","92.435","0.007","93.783","0.007","1075.06","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5,5'-(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diyl)bis(azanediyl)bis(1- methylpyrrolidin-2-one)","","- C22 H27 Cl N6 O2 -","- C22 H27 Cl N6 O2 -","- C44 H54 Cl2 N12 O4 -","2","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1026","0.0613","","","0.1461","0.1607","","","","","","0.896","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018304","8.1262","0.0014","10.5663","0.0019","10.8076","0.0019","73.15","0.003","78.568","0.003","83.055","0.003","868.5","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","poly[[μ~2~-2-(2,2'-bi-1H-imidazoly-1-yl)acetato]cadmium]","","- C16 H14 Cd N8 O4 -","- C16 H14 Cd N8 O4 -","- C32 H28 Cd2 N16 O8 -","2","1","WQ3007","Tao, Jian-Qing; Wang, Jun; Xu, Xiao-Juan","The coordination polymer poly[bis[μ~2~-2-(2,2'-bi-1H-imidazol-1-yl)acetato]cadmium]","Acta Crystallographica Section C","2011","67","11","m364","m366","10.1107/S0108270111042570","","","0.71073","MoKα","","0.0367","0.0315","","","0.0637","0.0653","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018305","10.059","0.002","13.618","0.003","13.544","0.004","90","","104.446","0.002","90","","1796.6","0.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate","","- C17 H13 F6 Fe O3 P S -","- C17 H13 F6 Fe O3 P S -","- C68 H52 F24 Fe4 O12 P4 S4 -","4","1","YP3006","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide","Acta Crystallographica Section C","2011","67","11","m351","m354","10.1107/S0108270111042715","","","0.71073","MoKα","","0.0569","0.0462","","","0.0863","0.0891","","","","","","1.284","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018306","7.2067","0.001","7.9568","0.0011","8.936","0.0013","102.475","0.001","95.493","0.002","93.399","0.002","496.33","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Phenoxathiin 10,10-dioxide","Phenoxathiin 10,10-dioxide","","- C12 H8 O3 S -","- C12 H8 O3 S -","- C24 H16 O6 S2 -","2","1","YP3006","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide","Acta Crystallographica Section C","2011","67","11","m351","m354","10.1107/S0108270111042715","","","0.71073","MoKα","","0.0328","0.0296","","","0.07","0.072","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018307","7.7055","0.0001","13.001","0.0002","15.7794","0.0003","90","","103.224","0.001","90","","1538.85","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C56 H64 N32 O16 -","8","2","BM3111","Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda","Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains","Acta Crystallographica Section C","2011","67","12","o496","o499","10.1107/S010827011104786X","","","0.71073","MoKα","","0.0715","0.0498","","","0.1207","0.1381","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018308","13.158","0.002","15.63","0.003","3.854","0.001","90","","90","","90","","792.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BM3111","Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda","Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains","Acta Crystallographica Section C","2011","67","12","o496","o499","10.1107/S010827011104786X","","","0.71073","MoKα","","0.1411","0.0881","","","0.1726","0.2022","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018309","10.641","0.005","5.134","0.002","19.096","0.008","90","","90","","90","","1043.2","0.8","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,5-bis(thiophen-2-yl)-1,3,4-selenadiazole","","- C10 H6 N2 S2 Se -","- C10 H6 N2 S2 Se -","- C40 H24 N8 S8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0687","0.0538","","","0.1031","0.1156","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018310","13.382","0.005","5.5247","0.0018","16.524","0.005","90","","94.528","0.008","90","","1217.8","0.7","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-5-phenyl-1,3,4-selenadiazole","","- C14 H9 Cl N2 Se -","- C14 H9 Cl N2 Se -","- C56 H36 Cl4 N8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0902","0.0786","","","0.2124","0.2257","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018311","8.5036","0.0015","25.21","0.005","11.116","0.002","90","","96.814","0.005","90","","2366.2","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(furan-2-yl)-5-(p-tolyl)-1,3,4-selenadiazole","","- C13 H10 N2 O Se -","- C13 H10 N2 O Se -","- C104 H80 N16 O8 Se8 -","8","2","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0768","0.0572","","","0.1316","0.1468","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018312","13.036","0.004","5.465","0.0014","16.274","0.005","90","","101.86","0.007","90","","1134.6","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-diphenyl-1,3,4-selenadiazole","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0484","0.0411","","","0.0751","0.0806","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018313","26.763","0.01","5.796","0.002","7.213","0.003","90","","103.885","0.009","90","","1086.2","0.7","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-diphenyl-1,3,4-selenadiazole","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","0.5","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0742","0.0655","","","0.1552","0.1665","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018314","7.7256","0.0004","19.3792","0.0011","15.2486","0.0008","90","","94.404","0.002","90","","2276.2","0.2","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloranilic acid‒pyrrolidin-2-one (1/1)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒pyrrolidin-2-one (1/1)","","- C10 H9 Cl2 N O5 -","- C10 H9 Cl2 N O5 -","- C80 H72 Cl16 N8 O40 -","8","2","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0445","0.0384","","","0.1041","0.1079","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018315","4.9665","0.0003","7.4767","0.0004","11.8445","0.0006","106.79","0.0019","90.299","0.002","108.734","0.002","396.43","0.04","180","1","180","1","","","","","","","","5","P -1","-P 1","2","chloranilic acid‒pyrrolidin-2-one (1/2)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒pyrrolidin-2-one (1/2)","","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","1","0.5","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0326","0.0295","","","0.0797","0.0814","","","","","","1.114","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018316","9.41079","0.00017","8.069","0.0004","18.1026","0.0003","90","","115.14","0.0007","90","","1244.42","0.07","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloranilic acid‒piperidin-2-one (1/1)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒piperidin-2-one (1/1)","","- C11 H11 Cl2 N O5 -","- C11 H11 Cl2 N O5 -","- C44 H44 Cl8 N4 O20 -","4","1","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0302","0.029","","","0.082","0.083","","","","","","1.061","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018317","17.8438","0.0005","5.4253","0.0003","19.5958","0.0005","90","","114.066","0.0007","90","","1732.14","0.12","180","1","180","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","chloranilic acid‒piperidin-2-one (1/2)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒piperidin-2-one (1/2)","","- C16 H20 Cl2 N2 O6 -","- C16 H20 Cl2 N2 O6 -","- C64 H80 Cl8 N8 O24 -","4","0.5","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0351","0.0312","","","0.0821","0.0831","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018318","8.1014","0.0005","11.3554","0.001","13.5762","0.0011","102.755","0.007","90.013","0.008","108.268","0.007","1153.47","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-tert-butyl-1-(4-chlorophenyl)-4- phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one","","- C29 H22 Cl N3 O -","- C29 H22 Cl N3 O -","- C58 H44 Cl2 N6 O2 -","2","1","FG3236","Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher","A π-stacked chain of hydrogen-bonded dimers in 3-tert-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one and a π-stacked sheet of hydrogen-bonded chains in 3-tert-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one","Acta Crystallographica Section C","2011","67","12","o479","o483","10.1107/S0108270111045082","","","0.71073","MoKα","","0.0658","0.0429","","","0.088","0.0982","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018319","11.1911","0.0009","11.4258","0.0008","20.095","0.002","97.411","0.006","93.272","0.007","107.635","0.006","2415.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-tert-butyl-1-(4-chlorophenyl)-4- (4-methoxyphenyl)indeno[1,2-b]pyrazolo[4,3-e]pyridin-\ 5(1H)-one","","- C30 H24 Cl N3 O2 -","- C30 H24 Cl N3 O2 -","- C120 H96 Cl4 N12 O8 -","4","2","FG3236","Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher","A π-stacked chain of hydrogen-bonded dimers in 3-tert-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one and a π-stacked sheet of hydrogen-bonded chains in 3-tert-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one","Acta Crystallographica Section C","2011","67","12","o479","o483","10.1107/S0108270111045082","","","0.71073","MoKα","","0.0935","0.0484","","","0.0963","0.1152","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018320","7","0.002","13.401","0.004","8.805","0.003","90","","95.183","0.004","90","","822.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate","","- C15 H17 Cl F6 Fe N P -","- C15 H17 Cl F6 Fe N P -","- C30 H34 Cl2 F12 Fe2 N2 P2 -","2","1","FN3089","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","Acta Crystallographica Section C","2011","67","12","m391","m394","10.1107/S0108270111049407","","","0.71073","MoKα","","0.0906","0.0805","","","0.1994","0.2064","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018321","10.9764","0.0011","9.4221","0.001","19.393","0.002","90","","91.608","0.001","90","","2004.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","","- C21 H22 F6 Fe N O P -","- C21 H22 F6 Fe N O P -","- C84 H88 F24 Fe4 N4 O4 P4 -","4","1","FN3089","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","Acta Crystallographica Section C","2011","67","12","m391","m394","10.1107/S0108270111049407","","","0.71073","MoKα","","0.052","0.0372","","","0.1088","0.1217","","","","","","0.854","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018322","14.0867","0.0012","9.4898","0.0007","12.2656","0.0009","90","","115.381","0.004","90","","1481.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dichloro-9H-purine","","- C5 H2 Cl2 N4 -","- C5 H2 Cl2 N4 -","- C40 H16 Cl16 N32 -","8","2","GG3264","García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.","Two tautomeric polymorphs of 2,6-dichloropurine","Acta Crystallographica Section C","2011","67","12","o484","o486","10.1107/S0108270111043575","","","1.54178","CuKα","","0.0792","0.0512","","","0.1339","0.1539","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018323","5.5716","0.0009","9.582","0.0016","13.159","0.002","90","","90","","90","","702.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-dichloro-7H-purine","","- C5 H2 Cl2 N4 -","- C5 H2 Cl2 N4 -","- C20 H8 Cl8 N16 -","4","1","GG3264","García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.","Two tautomeric polymorphs of 2,6-dichloropurine","Acta Crystallographica Section C","2011","67","12","o484","o486","10.1107/S0108270111043575","","","0.71073","MoKα","","0.0378","0.0326","","","0.0694","0.0709","","","","","","1.381","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018324","8.0821","0.0008","11.2521","0.0011","12.9231","0.0013","106.242","0.008","106.063","0.009","106.102","0.008","1000.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole-2,2'-diium) γ-octamolybdate(VI) dihydrate]","","- C20 H36 Mo8 N8 O28 -","- C20 H36 Mo8 N8 O28 -","- C20 H36 Mo8 N8 O28 -","1","0.5","KU3054","Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole-2,2'-diium multiple hydrogen-bond donor","Acta Crystallographica Section C","2011","67","12","m378","m383","10.1107/S0108270111047159","","","0.71073","MoKα","","0.0314","0.0242","","","0.0583","0.06","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018325","22.5418","0.0014","20.4965","0.001","12.5203","0.0008","90","","110.27","0.008","90","","5426.5","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","bis(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole-2,2'-diium) α-dodecamolybdo(VI)silicate tetrahydrate","","- C20 H40 Mo12 N8 O44 Si -","- C20 H40 Mo12 N8 O44 Si -","- C80 H160 Mo48 N32 O176 Si4 -","4","1","KU3054","Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole-2,2'-diium multiple hydrogen-bond donor","Acta Crystallographica Section C","2011","67","12","m378","m383","10.1107/S0108270111047159","","","0.71073","MoKα","","0.0323","0.0269","","","0.0552","0.056","","","","","","0.907","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018326","4.9301","0.0008","4.9301","0.0008","27.561","0.006","90","","90","","120","","580.15","0.18","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","dodecalithium dodecacopper tetradecaaluminium","","- Al14.37 Cu12.6 Li12 -","- Al14.37 Cu12.6 Li12 -","- Al14.37 Cu12.6 Li12 -","1","0.0277778","KU3057","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Chumak, Ihor; Ehrenberg, Helmut","Li~12~Cu~12.60~Al~14.37~: a new ternary derivative of the binary Laves phases","Acta Crystallographica Section C","2011","67","12","i59","i62","10.1107/S0108270111048566","","","0.71073","MoKα","","0.0571","0.0556","","","0.1568","0.1584","","","","","","1.252","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018327","16.3418","0.0002","16.3418","0.0002","16.6448","0.0002","90","","90","","90","","4445.07","0.09","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","trans-bis(nitrito-κN)tetrakis(pyridine-κN)ruthenium(II) dihydrate","","- C20 H24 N6 O6 Ru -","- C20 H24 N6 O6 Ru -","- C160 H192 N48 O48 Ru8 -","8","0.25","MX3053","Buron-Le Cointe, Marylise; Cormary, Beno\?ît; Toupet, Loïc; Malfant, Isabelle","The three-dimensional intermolecular network formed via water molecules in trans-bis(nitrito-κN)tetrakis(pyridine-κN)ruthenium(II) dihydrate","Acta Crystallographica Section C","2011","67","12","m375","m377","10.1107/S0108270111044672","","","0.71073","MoKα","","0.0287","0.018","","","0.0473","0.0491","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018328","9.9037","0.0004","11.5575","0.0004","16.727","0.0006","90","","90","","90","","1914.61","0.12","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-Sulfoethylammonium hexafluoridoantimonate","","- C2 H8 F6 N O3 S Sb -","- C2 H8 F6 N O3 S Sb -","- C16 H64 F48 N8 O24 S8 Sb8 -","8","1","OV3009","Hopfinger, Mathias; Lux, Karin; Schubert, Felix; Kornath, Andreas","2-Sulfoethylammonium hexafluoridoantimonate","Acta Crystallographica Section C","2011","67","12","m400","m402","10.1107/S0108270111047548","","","0.71073","MoKα","","0.0243","0.0183","","","0.0421","0.043","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018329","12.735","0.0016","11.6945","0.0015","15.3357","0.0018","90","","93.546","0.003","90","","2279.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sulfapyridine III","4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C88 H88 N24 O16 S8 -","8","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0399","0.0347","","","0.0923","0.096","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018330","9.0258","0.001","9.9264","0.0012","17.988","0.002","90","","100.72","0.003","90","","1583.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine dioxane solvate","4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide 1,3-dioxane monosolvate","","- C15 H19 N3 O4 S -","- C15 H19 N3 O4 S -","- C60 H76 N12 O16 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0548","0.0504","","","0.1536","0.1571","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018331","11.212","0.002","12.449","0.002","11.6209","0.0019","90","","99.888","0.005","90","","1597.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine tetrahydrofuran solvate","4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C60 H76 N12 O12 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0664","0.053","","","0.1531","0.1625","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018332","8.6639","0.0016","12.586","0.002","15.833","0.003","90","","105.447","0.006","90","","1664.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfapyridine piperidine solvate","piperidin-1-ium 4-amino-N-(pyridin-2-yl)benzenesulfonamidate","","- C16 H22 N4 O2 S -","- C16 H22 N4 O2 S -","- C64 H88 N16 O8 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0576","0.0374","","","0.0826","0.0902","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018333","9.8901","0.0014","10.4992","0.0014","15.883","0.002","90","","96.631","0.002","90","","1638.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac-pentaaqua-1κ^5^O-(μ-2-sulfidoacetato- 1:2κ^3^O:O',S)bis(2-sulfidoacetato- 2κ^2^O,S)manganese(II)tin(IV)","","- C6 H16 Mn O11 S3 Sn -","- C6 H16 Mn O11 S3 Sn -","- C24 H64 Mn4 O44 S12 Sn4 -","4","1","QS3008","Song, Li; Ling, Chun; Wang, Xinping","A novel heterometallic dinuclear compound: rac-pentaaqua-1κ^5^O-(μ-2-sulfidoacetato-1:2κ^3^O:O',S)bis(2-sulfidoacetato-2κ^2^O,S)manganese(II)tin(IV)","Acta Crystallographica Section C","2011","67","12","m384","m386","10.1107/S0108270111047329","","","0.71075","MoKα","","0.0199","0.0183","","","0.0428","0.0438","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018334","14.178","0.004","9.481","0.003","15.901","0.004","90","","105.772","0.004","90","","2057","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(2,2'-bipyridine-κ^2^N,N')bis(μ~6~-2,4,6- trimethylbenzene-1,3,5-tricarboxylato)tricadmium(II)]","","- C44 H34 Cd3 N4 O12 -","- C44 H34 Cd3 N4 O12 -","- C88 H68 Cd6 N8 O24 -","2","0.5","SK3421","Guo, Jie; Zhang, Liang-Liang; He, Hai-Yan; Li, Xiao-Wei; Sun, Di","Poly[bis(2,2'-bipyridine-κ^2^N,N')bis(μ~6~-2,4,6-trimethylbenzene-1,3,5-tricarboxylato)tricadmium(II)], a two-dimensional `Kagomé dual' (kgd) sheet structure","Acta Crystallographica Section C","2011","67","12","m387","m390","10.1107/S0108270111048591","","","0.71073","MoKα","","0.037","0.0275","","","0.0634","0.0682","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018335","10.8128","0.0008","8.4293","0.0004","10.9321","0.0009","90","","118.192","0.008","90","","878.2","0.12","120","","120","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(3aRS,7aRS)-1,3-dinitroso-2,3,3a,4,5,6,7,7a- octahydro-1H-benzimidazole","","- C7 H12 N4 O2 -","- C7 H12 N4 O2 -","- C28 H48 N16 O8 -","4","1","UK3034","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","The disordered molecular structure of (3aRS,7aRS)-1,3-dinitrosooctahydro-1H-benzimidazole","Acta Crystallographica Section C","2011","67","12","o505","o508","10.1107/S0108270111046397","","","1.5418","CuKα","","0.0475","0.0403","","","0.1103","0.1147","","","","","","1.92","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018336","9.0669","0.0018","7.7778","0.0016","30.135","0.006","90","","93.148","0.002","90","","2121.9","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^1^,N^4^-bis(5-hydroxypenta-1,3-diynyl)- N^1^,N^4^-diphenylbenzene-1,4-diamine","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","UK3036","Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa","Two polymorphs of N^1^,N^4^-bis(5-hydroxypenta-1,3-diynyl)-N^1^,N^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section C","2011","67","12","o492","o495","10.1107/S0108270111045951","","","0.71073","MoKα","","0.0684","0.0512","","","0.1213","0.1327","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018337","15.53","0.004","8.831","0.002","17.108","0.004","90","","115.766","0.003","90","","2113","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^1^,N^4^-bis(5-hydroxypenta-1,3-diynyl)- N^1^,N^4^-diphenylbenzene-1,4-diamine","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","UK3036","Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa","Two polymorphs of N^1^,N^4^-bis(5-hydroxypenta-1,3-diynyl)-N^1^,N^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section C","2011","67","12","o492","o495","10.1107/S0108270111045951","","","0.71073","MoKα","","0.0812","0.0478","","","","0.1107","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018338","13.2648","0.0007","16.6182","0.0009","17.679","0.001","90.557","0.001","110.485","0.001","108.261","0.001","3435.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","cyclo-tetra-μ~2~-hydroxido-dodeca-μ~2~-isobutyrato- κ^24^O:O'-octa-μ~2~-phenolato-octairon(III) phenol hexasolvate monohydrate","","- C132 H166 Fe8 O43 -","- C132 H164 Fe8 O43 -","- C132 H164 Fe8 O43 -","1","0.5","YF3006","Baca, Svetlana G.; Breukers, Stefanie; Ellern, Arkady; Kögerler, Paul","An octanuclear iron(III) isobutyrate wheel","Acta Crystallographica Section C","2011","67","12","m371","m374","10.1107/S010827011104412X","","","0.71073","MoKα","","0.0578","0.0432","","","0.0994","0.1083","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""