# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-29T10:47:56+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 'CrystEngComm') AND volume = 7 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
"7203693","26.6252","0.0006","26.6252","","14.6744","0.0007","90","","90","","120","","9009","0.5","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.33 H18.33 Cl N3 S6 Sb -","- C9.33333 H18 Cl0.99 N3 S6 Sb -","- C168 H324 Cl17.82 N54 S108 Sb18 -","18","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.054","0.043","","","0.111","0.118","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203694","10.3916","0.0006","11.466","0.0007","13.752","0.0009","95.617","0.001","110.929","0.001","106.614","0.002","1429.47","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl3 N3 S6 Sb -","- C19 H31 Cl3 N3 S6 Sb -","- C38 H62 Cl6 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.05","0.039","","","0.085","0.09","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203695","10.908","0.0006","13.5802","0.0007","18.8708","0.001","90","","99.305","0.001","90","","2758.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 N3 S6 Sb -","- C21 H36 N3 S6 Sb -","- C84 H144 N12 S24 Sb4 -","4","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.135","0.071","","","0.115","0.135","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203696","9.8634","0.0006","13.1293","0.0007","17.145","0.0009","93.689","0.001","99.276","0.001","105.504","0.001","2098","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N3 S6 Sb -","- C45 H42 N3 S6 Sb -","- C90 H84 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.058","0.045","","","0.098","0.107","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203698","10.0685","0.0002","12.7121","0.0003","10.079","0.0002","90","","115.515","0.001","90","","1164.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)ferrocene carboxamide","N-(2-hydroxyethyl)ferrocene carboxamide","","- C13 H15 Fe N O2 -","- C13 H15 Fe N O2 -","- C52 H60 Fe4 N4 O8 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0343","0.0274","","","0.0645","0.0681","","","","","","1.056","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203699","9.0886","0.0002","10.0348","0.0001","16.761","0.0003","90","","90","","90","","1528.64","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","","- C16 H20 Fe N2 O4 -","- C16 H20 Fe N2 O4 -","- C64 H80 Fe4 N8 O16 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0196","0.0191","","","0.0499","0.0502","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203700","12.697","0.0002","10.017","0.0002","22.015","0.0003","90","","92.601","0.001","90","","2797.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","","- C15 H19 Fe N O3 -","- C15 H19 Fe N O3 -","- C120 H152 Fe8 N8 O24 -","8","2","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0678","0.0536","","","0.1343","0.1412","","","","","","1.08","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203701","21.35","0.0003","7.75","0.0004","15.596","0.0005","90","","130.317","0.002","90","","1967.61","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","","- C20 H28 Fe N2 O6 -","- C20 H28 Fe N2 O6 -","- C80 H112 Fe4 N8 O24 -","4","0.5","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0553","0.0365","","","0.0718","0.0785","","","","","","1.032","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203702","17.404","0.004","12.702","0.003","15.22","0.005","90","","100.46","0.02","90","","3308.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Fe Na3 O17 -","- C6 H10 Fe Na3 O17 -","- C48 H80 Fe8 Na24 O136 -","8","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0712","0.057","","","0.1434","0.1534","","","","","","1.097","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203703","13.231","0.003","13.395","0.003","15.823","0.003","85.6","0.03","86.42","0.03","62.85","0.03","2486.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 As2 Fe O12.5 -","- C53 H44 As2 Fe O12.5 -","- C106 H88 As4 Fe2 O25 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.073","0.0466","","","0.1213","0.1378","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203704","14.565","0.003","13.618","0.003","18.393","0.004","90","","111.28","0.03","90","","3399.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 As Fe N2 O9 -","- C38 H30 As Fe N2 O9 -","- C152 H120 As4 Fe4 N8 O36 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0549","0.0398","","","0.0923","0.1003","","","","","","1.014","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203705","9.4991","0.0019","14.279","0.003","14.557","0.003","103.57","0.03","99.94","0.03","105.77","0.03","1787.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 As Fe N2 O9 -","- C40 H28 As Fe N2 O9 -","- C80 H56 As2 Fe2 N4 O18 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0865","0.0525","","","0.1241","0.1424","","","","","","1.036","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203706","10.436","0.002","29.919","0.006","14.882","0.003","90","","99.47","0.03","90","","4583.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe2 N6 Na O19 -","- C42 H28 Fe2 N6 Na O19 -","- C168 H112 Fe8 N24 Na4 O76 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.1441","0.0794","","","0.2155","0.2587","","","","","","0.985","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203709","7.2504","0.0016","9.346","0.002","11.785","0.003","108.4","0.003","98.483","0.003","108.72","0.003","689.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cu N2 O5 -","- C12 H10 Cl2 Cu N2 O5 -","- C24 H20 Cl4 Cu2 N4 O10 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0364","0.0337","","","0.0933","0.0947","","","","","","1.096","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203710","6.4404","0.0004","9.7045","0.0006","13.6309","0.0008","76.339","0.001","84.205","0.001","78.894","0.001","810.96","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N4 O11 -","- C12 H10 Cu N4 O11 -","- C24 H20 Cu2 N8 O22 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0547","0.0478","","","0.1221","0.1255","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203711","17.974","0.006","19.563","0.006","18.139","0.006","90","","114.41","0.01","90","","5808","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 Ag2 F6 N8 O6 S2 -","- C42 H24 Ag2 F6 N8 O6 S2 -","- C168 H96 Ag8 F24 N32 O24 S8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1463","0.0553","","0.1432","0.1221","","","","0.764","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203712","22.5979","0.0012","9.886","0.0006","22.9546","0.0013","90","","103.113","0.002","90","","4994.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 Ag2 Cl4 N12 O6 S2 -","- C78 H60 Ag2 Cl4 N12 O6.004 S2 -","- C156 H120 Ag4 Cl8 N24 O12.008 S4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1018","0.0712","","0.2631","0.2357","","","","1.093","","","","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203713","24.888","0.009","15.171","0.005","32.904","0.011","90","","98.9","0.01","90","","12274","7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C356 H228 Ag8 F24 N68 O24 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.097","0.0611","","","0.1534","0.1628","","","","","","0.868","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203714","9.782","0.001","18.303","0.003","18.832","0.003","99.82","0.01","99.17","0.01","96.74","0.01","3243.4","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 Ag2 N9 O7 S2 Zn -","- C58 H47 Ag2 N9 O7 S2 Zn -","- C116 H94 Ag4 N18 O14 S4 Zn2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1023","0.0615","","0.171","0.1582","","","","0.971","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203715","16.27","0.0006","11.3714","0.0004","16.604","0.0006","90","","91.6986","0.0016","90","","3070.6","0.19","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, alpha polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, alpha polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0713","0.0621","","","0.1697","0.1822","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203716","20.1578","0.0002","10.0249","0.0001","16.2228","0.0001","90","","108.316","0.0008","90","","3112.22","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, beta polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, beta polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0445","0.0388","","","0.1051","0.111","","","","","","1.028","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203717","22.8535","0.0002","11.6789","0.0001","27.9986","0.0003","90","","107.612","0.0005","90","","7122.65","0.12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.1025","0.0749","","","0.2076","0.2341","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203718","22.4565","0.0002","11.604","0.0001","27.9163","0.0003","90","","107.381","0.0004","90","","6942.41","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.109","0.0929","","","0.2487","0.2691","","","","","","1.094","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203720","10.9119","0.0002","11.0748","0.0002","14.0183","0.0003","67.817","0.0009","70.609","0.001","65.733","0.001","1398.34","0.05","150","1","150","1","","","","","","","Synthesised by authors, see text","6","P -1","-P 1","2","(Trisaqua(18-crown-6)gadolinium(iii)) hexacyanoferrate(iii) dihydrate","[Trisaqua(18-crown-6)gadolinium(III)] hexacyanoferrate(III) dihydrate","","- C18 H34 Fe Gd N6 O11 -","- C18 H34 Fe Gd N6 O11 -","- C36 H68 Fe2 Gd2 N12 O22 -","2","1","","Rajesh Koner; Malabika Nayak; George Ferguson; John N. Low; Christopher Glidewell; Phalguni Misra; Sasankasekhar Mohanta","Strongly hydrogen bonded interlocked infinite double helices in a crown ether based gadolinium(iii) hexacyanoferrate(iii) supramolecule","CrystEngComm","2005","7","19","129","","10.1039/b418173e","","","0.71073","MoKα","","0.0241","0.0217","","","0.0653","0.0666","","","","","","1.201","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203721","7.4613","0.0009","20.3543","0.0019","20.47","0.002","90","","95.439","0.006","90","","3094.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cd1.5 N2 O18 S -","- C21 H39 Cd1.5 N2 O18 S -","- C84 H156 Cd6 N8 O72 S4 -","4","1","","Liu, Qing -Yan; Xu, Li","(H2O)12-containing infinite chain encapsulated in supramolecular open framework built of cadmium(ii), 1,3-di(4-pyridyl)propane and 5-sulfoisophthalic acid monosodium salt","CrystEngComm","2005","7","12","87","","10.1039/b418341j","","","0.71073","MoKα","","0.055","0.0487","","","0.0954","0.0987","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203722","6.9376","0.0002","7.445","0.0002","9.1267","0.0002","97.732","0.002","103.958","0.002","115.766","0.002","396.24","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C12 H24 N4 O6 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0477","0.0414","","0.1173","0.1155","0.1173","","","","","","0.9936","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203723","8.9537","0.0011","5.4541","0.0006","13.61","0.004","90","","104.93","0.02","90","","642.2","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0724","0.0526","","0.1026","0.0957","0.1026","","","","","","1.0911","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203724","6.7254","0.0002","13.2572","0.0004","8.0529","0.0002","90","","98.603","0.002","90","","709.92","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0618","0.0419","","0.0913","0.0842","0.0913","","","","","","0.9736","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203731","8.868","0.001","9.123","0.001","45.055","0.005","90","","94.413","0.001","90","","3634.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(terpy)2](PF6)2.DMF","","","- C33 H29 F12 N7 Ni O P2 -","- C33 H29 F12 N7 Ni O P2 -","- C132 H116 F48 N28 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71069","MoKα","","0.0602","0.0567","","","0.1471","0.1491","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203732","8.7687","0.0017","8.9641","0.0018","44.959","0.009","90","","90","","90","","3533.9","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F12 N6 Ni O P2 -","- C33 H28 F12 N6 Ni O P2 -","- C132 H112 F48 N24 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71073","MoKα","","0.0754","0.074","","","0.1807","0.1816","","","","","","1.161","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203733","8.668","0.005","9.278","0.006","20.214","0.009","78.8","0.04","78.24","0.04","87.93","0.03","1561.2","1.6","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 Fe N6 O3 -","- C30 H24 B2 F8 Fe N6 O3 -","- C60 H48 B4 F16 Fe2 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.053","","","","0.081","","","","","","1.95","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203734","8.7533","0.001","8.9226","0.001","19.8607","0.0023","90","0.005","99.557","0.005","90","0.005","1529.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ru(terpy)(terpyOH)](BF4)2.H2O","","- C30 H22 B2 F8 N6 O2 Ru -","- C30 H22 B2 F8 N6 O2 Ru -","- C60 H44 B4 F16 N12 O4 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71069","MoKα","","0.0406","0.0401","","","0.1094","0.1099","","","","","","1.065","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203735","8.737","0.002","9.345","0.003","20.224","0.005","78.64","0.02","78.32","0.02","87.73","0.02","1585.4","0.8","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 N6 O3 Ru -","- C30 H24 B2 F8 N6 O3 Ru -","- C60 H48 B4 F16 N12 O6 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.041","","","","0.067","","","","","","1.8","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203736","8.806","0.002","9.047","0.001","20.163","0.004","90","","98.38","0.01","90","","1589.2","0.5","294","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Cu F8 N6 O3 -","- C30 H21 B2 Cu F8 N6 O3 -","- C60 H42 B4 Cu2 F16 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.051","","","","0.068","","","","","","1.27","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203737","8.774","0.003","8.871","0.002","38.795","0.009","90","","90","","90","","3019.6","1.4","294","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 B2 F8 N6 Ni O2 -","- C30 H20 B2 F8 N6 Ni O2 -","- C120 H80 B8 F32 N24 Ni4 O8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.046","","","","0.058","","","","","","1.97","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203742","6.6875","0.0006","12.1818","0.0012","12.3924","0.0012","90","","90","","90","","1009.56","0.17","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0585","","","","","","1.089","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203743","14.5782","0.0007","5.4156","0.0003","13.0424","0.0007","90","","104.479","0.001","90","","996.99","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0359","0.0306","","","0.0815","0.084","","","","","","1.064","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203744","8.5479","0.0008","15.9729","0.0014","9.6655","0.0008","90","","110.722","0.002","90","","1234.3","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","binicotinic acid dihydrate","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.04","0.0368","","","0.1054","0.1092","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203745","10.665","0.006","6.222","0.003","11.579","0.006","90","","116.74","0.009","90","","686.2","0.6","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","binicotinic acid hydrochloride dihydrate","","","- C12 H13 Cl N2 O6 -","- C12 H13 Cl N2 O6 -","- C24 H26 Cl2 N4 O12 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0517","0.0471","","","0.1202","0.1229","","","","","","1.166","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203746","12.9485","0.0018","5.9793","0.0008","8.6189","0.0012","90","","96.16","0.002","90","","663.45","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","binicotinic acid dihydrochloride","","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C24 H20 Cl4 N4 O8 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0243","0.0242","","","0.0636","0.0637","","","","","","1.07","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203749","10.815","0.002","9.4999","0.0019","35.478","0.007","90","","90","","90","","3645.1","1.2","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-dihydrate-methanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- dihydrate-methanol","","- C41 H41 Ag N2 O7 -","- C41 H41 Ag N2 O7 -","- C164 H164 Ag4 N8 O28 -","4","1","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0669","0.0368","","","0.064","0.0707","","","","","","0.935","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203750","24.024","0.006","10.689","0.002","10.982","0.002","90","","108.657","0.004","90","","2671.9","1","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","(tetraammine-kappa$2!O,O'-((S)-1,1'-bi-2-naphtholate(2- ))cadmium(ii))-bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","[tetraammine-κ^2^O,O'-((S)-1,1'-bi-2-naphtholate(2-))cadmium(II)]- bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","","- C62 H62 Cd N4 O9 -","- C62 H62 Cd N4 O9 -","- C124 H124 Cd2 N8 O18 -","2","0.5","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0308","0.0269","","","0.0454","0.0467","","","","","","0.93","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203751","9.373","0.003","10.796","0.003","18.074","0.005","78.215","0.005","81.104","0.005","89.636","0.005","1768.2","0.9","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1471","0.0594","","","0.1082","0.1335","","","","","","0.883","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203752","9.3931","0.0016","10.8023","0.0018","18.105","0.003","78.274","0.003","81.002","0.003","89.577","0.003","1776","0.5","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1041","0.0498","","","0.0667","0.0794","","","","","","0.924","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203753","17.856","0.002","20.231","0.002","7.0472","0.0007","90","","103.15","0.002","90","","2479","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5.75 H4.38 Cl2.5 Co0.75 N4.13 -","- C5 H3 Cl1.5 Co0.75 N4 -","- C40 H24 Cl12 Co6 N32 -","8","1","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0455","0.0359","","","0.0874","0.0894","","","","","","0.954","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203754","18.0112","0.0016","6.3741","0.0006","13.9426","0.0013","90","","109.359","0.002","90","","1510.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(NO3)2(DPZTZ)","Cadmium (II) nitrate 3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 Cd N10 O6 -","- C10 H6 Cd N10 O6 -","- C40 H24 Cd4 N40 O24 -","4","0.5","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0257","0.0208","","","0.046","0.0484","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203756","29.649","0.006","21.016","0.004","12.252","0.003","90","","92.14","0.03","90","","7629","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H44 N18 O0.96 Zn2 -","- C76 H44 N18 O0.961 Zn2 -","- C304 H176 N72 O3.844 Zn8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1197","0.0818","","","0.205","0.2265","","","","","","0.951","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203757","10.886","0.002","12.317","0.003","14.535","0.003","65.05","0.03","76.62","0.03","70.07","0.03","1652.4","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.0643","0.043","","","0.1011","0.1089","","","","","","0.904","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203758","9.2854","0.0019","20.135","0.004","18.572","0.004","90","","90.15","0.03","90","","3472.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 N10 Zn -","- C45 H30 N10 Zn -","- C180 H120 N40 Zn4 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1505","0.0872","","","0.2524","0.2878","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203765","15.754","0.004","26.877","0.007","19.244","0.005","90","","90.065","0.004","90","","8148","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Co2 N16 O7 S4 -","- C82 H74 Co2 N16 O7 S4 -","- C328 H296 Co8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","","0.71073","MoKα","","0.0665","0.0543","","","0.1389","0.151","","","","","","1.063","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203766","15.772","0.005","26.984","0.008","19.254","0.006","90","","90.019","0.005","90","","8194","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Fe2 N16 O7 S4 -","- C82 H74 Fe2 N16 O7 S4 -","- C328 H296 Fe8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","x-ray","0.71073","MoKα","","0.1089","0.0577","","","0.1278","0.1608","","","","","","1.037","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203776","7.811","0.003","11.056","0.002","8.938","0.001","90","","98.02","0.02","90","","764.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0738","0.0353","","","0.0725","0.0809","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203777","7.6924","0.0006","10.9917","0.0008","8.9403","0.0007","90","","97.213","0.001","90","","749.94","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0223","0.0222","","","0.0578","0.0579","","","","","","1.081","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203778","7.701","0.003","10.977","0.002","8.943","0.005","90","","97.15","0.02","90","","750.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 Co N4 -","- C14 H14 Cl2 Co N4 -","- C28 H28 Cl4 Co2 N8 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0292","0.0286","","","0.0712","0.0716","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203779","8.989","0.0012","9.8015","0.0013","11.403","0.002","112.076","0.002","94.424","0.002","108.021","0.002","863.8","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0567","0.037","","","0.0814","0.0908","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203780","7.4357","0.001","9.7115","0.0013","12.026","0.002","70.913","0.002","81.101","0.002","80.143","0.002","804","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0329","0.0293","","","0.0719","0.0743","","","","","","0.986","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203781","6.9179","0.0009","10.7325","0.0014","12.898","0.002","66.496","0.002","86.813","0.002","89.574","0.002","876.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0563","0.0374","","","0.0906","0.1007","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203782","16.113","0.003","4.2049","0.0009","28.34","0.006","90","","90","","90","","1920.1","0.7","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C10 H10 Au Br4 Cl I2 N2 -","- C10 H10 Au Br3.654 Cl1.346 I2 N2 -","- C40 H40 Au4 Br14.616 Cl5.384 I8 N8 -","4","0.5","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0915","0.0476","","","0.1134","0.1343","","","","","","1.034","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203783","14.5518","0.0011","13.7363","0.001","14.6547","0.001","90","","92.389","0.001","90","","2926.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl12 Fe2 N3 -","- C15 H15 Cl12 Fe2 N3 -","- C60 H60 Cl48 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0426","0.0324","","","0.0843","0.089","","","","","","1.031","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203784","14.583","0.011","13.96","0.01","14.695","0.011","90","","91.716","0.014","90","","2990","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br3 Cl9 Fe2 N3 -","- C15 H15 Br3 Cl9 Fe2 N3 -","- C60 H60 Br12 Cl36 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.1413","0.0712","","","0.1691","0.2075","","","","","","0.909","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203785","9.894","0.002","21.852","0.004","11.64","0.002","90","","98.807","0.003","90","","2486.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl10 N3 Pt -","- C15 H15 Cl10 N3 Pt -","- C60 H60 Cl40 N12 Pt4 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0502","0.0405","","","0.1259","0.1321","","","","","","1.086","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203794","9.1213","0.0006","9.1213","0.0006","7.1103","0.0009","90","","90","","120","","512.31","0.08","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 N6 P S -","- C3 H15 N6 P S -","- C6 H30 N12 P2 S2 -","2","0.333333","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0215","0.0213","","","0.0554","0.0555","","","","","","1.074","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203795","13.226","0.003","9.956","0.002","13.349","0.003","90","","90","","90","","1757.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H15 N6 O P -","- C3 H15 N6 O P -","- C24 H120 N48 O8 P8 -","8","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0378","0.0345","","","0.0931","0.0954","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206357","18.2426","0.0005","18.2426","0.0005","8.5167","0.0003","90","","90","","90","","2834.29","0.15","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","","","","- C29 H24 N4 O12 -","- C29 H24 N4 O12 -","- C116 H96 N16 O48 -","4","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0684","0.0534","","","0.1279","0.1385","","","","","","1.071","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206358","12.114","0.0005","12.114","0.0005","8.9974","0.0005","90","","90","","90","","1320.36","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4","P -4","81","","","","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","1","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0841","0.059","","","0.1703","0.1884","","","","","","0.959","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7216054","5.6534","0.0002","25.5246","0.0009","12.1459","0.0003","90","","94.31","0.002","90","","1747.71","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.0974","0.0595","","0.2981","0.0698","0.0698","","","","","","0.9646","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216055","35.6129","0.0012","5.4646","0.0002","20.5952","0.0007","90","","120.439","0.002","90","","3455.6","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.1034","0.0504","","0.0443","0.0326","0.0326","","","","","","1.2421","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216056","6.2231","0.0005","10.3057","0.0008","15.4812","0.0011","75.295","0.001","79.299","0.001","74.715","0.001","918.84","0.12","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-1,6,6'-ium-tetrachlorocobaltate(II) -chloride","","- C16 H13 Cl5 Co N4 -","- C16 H13 Cl5 Co N4 -","- C32 H26 Cl10 Co2 N8 -","2","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.032","0.0261","","","0.0657","0.0681","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216057","19.004","0.016","12.519","0.011","19.141","0.018","90","","110.093","0.017","90","","4277","7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridin-1,1'-ium bis(1,1'-binaphthalene-2,2'-diyl phosphate).2.5H2O","","- C50 H39 N2 O10.5 P2 -","- C50 H39 N2 O10.5 P2 -","- C200 H156 N8 O42 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0609","0.0374","","","0.0898","0.0981","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216058","4.9715","0.0019","9.162","0.004","10.233","0.004","109.757","0.007","92.325","0.007","98.082","0.007","432.4","0.3","207","2","207","2","","","","","","","","5","P -1","-P 1","2","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoK\α","","0.1561","0.0686","","","0.1079","0.1355","","","","","","0.815","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216059","4.9382","0.0006","9.1344","0.0011","10.2335","0.0012","110.667","0.002","91.904","0.002","98.093","0.002","425.88","0.09","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-6,6'-ium-dichloride dihydrate","","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0386","0.0334","","","0.0938","0.0976","","","","","","1.076","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216060","18.9374","0.0018","9.0233","0.0009","9.4739","0.0009","90","","92.801","0.002","90","","1616.9","0.3","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridin-1,1'-ium bis(dihydrogenphosphate) dihydrate","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0668","0.0409","","","0.1039","0.1148","","","","","","0.941","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216061","6.45","0.002","9.401","0.004","9.965","0.004","76.674","0.005","76.909","0.005","70.19","0.005","545.9","0.4","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C16 H28 N8 O2 S2 -","2","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKα","","0.0612","0.055","","","0.1639","0.1735","","","","","","0.834","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216062","14.182","0.009","9.295","0.006","8.723","0.005","90","","104.309","0.01","90","","1114.2","1.2","290","2","290","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C32 H56 N16 O4 S4 -","4","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKa","","0.0731","0.0569","","","0.1651","0.1838","","","","","","0.817","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216063","7.7407","0.0002","5.5405","0.0001","10.4926","0.0002","90","","103.643","0.001","90","","437.303","0.016","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Oxauracil","3-Oxauracil","","- C4 H3 N O3 -","- C4 H3 N O3 -","- C16 H12 N4 O12 -","4","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0324","0.0299","","","0.0822","0.0849","","","","","","1.067","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216064","14.4737","0.0003","6.003","0.0001","6.3626","0.0001","90","","90","","90","","552.818","0.017","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-Oxauracil monohydrate","3-Oxauracil monohydrate","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","0.5","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0298","0.0298","","","0.0818","0.0819","","","","","","1.083","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216065","4.6195","0.0001","7.0493","0.0001","7.3452","0.0002","88.169","0.001","81.504","0.001","86.245","0.001","235.998","0.009","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-hydroxy-2,4(1H,3H)pyrimidinedione","5-hydroxy-2,4(1H,3H)pyrimidinedione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C8 H8 N4 O6 -","2","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0463","0.0409","","","0.1193","0.1236","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216066","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Wu, Tao; Li, Dan","A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices","CrystEngComm","2005","7","97","595","","10.1039/b511708a","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216067","13.4415","0.0011","14.8653","0.0012","18.7182","0.0016","72.018","0.001","71.597","0.001","69.434","0.001","3239.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 Cl7 N8 O0.67 Zn -","- C41.3333 H25.3333 Cl4 N8 Zn -","- C124 H76 Cl12 N24 Zn3 -","3","1.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.0825","0.0519","","","0.129","0.1404","","","","","","1.028","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216068","33.072","0.011","33.072","0.011","9.285","0.004","90","","90","","120","","8795","6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41.33 H25.33 Cl4 N8 Zn -","- C40 H24 N8 Zn -","- C360 H216 N72 Zn9 -","9","0.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.1742","0.0804","","","0.1555","0.1775","","","","","","0.912","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216069","12.144","0.0002","12.253","0.0002","13.039","0.0003","94.872","0.002","111.431","0.002","110.706","0.002","1637.53","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H36 N14 Ni3 O20 S4 -","- C10 H36 N14 Ni3 O20 S4 -","- C20 H72 N28 Ni6 O40 S8 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0971","0.0429","","","0.0802","0.0967","","","","","","0.983","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216070","7.139","0.0014","31.196","0.006","11.575","0.002","90","","93.865","0.01","90","","2572","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N6 Ni2 O14 S2 -","- C12 H34 N6 Ni2 O14 S2 -","- C48 H136 N24 Ni8 O56 S8 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","","","0.1067","0.0701","","","0.118","0.1262","","","","","","1.146","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216071","13.711","0.002","10.2151","0.0015","18.702","0.003","90","","96.868","0.01","90","","2600.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N10 Ni O9 S3 -","- C12 H34 N10 Ni O9 S3 -","- C48 H136 N40 Ni4 O36 S12 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","synchrotron","","0.0465","0.0353","","","0.0742","0.0763","","","","","","1.145","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216072","9.194","0.0005","11.037","0.0007","9.283","0.0006","90","","107.528","0.004","90","","898.25","0.1","170","2","170","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H9 N3 O5 S Zn -","- C4 H9 N3 O5 S Zn -","- C16 H36 N12 O20 S4 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0317","0.0299","","","0.0778","0.0796","","","","","","1.086","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216073","7.355","0.0002","12.149","0.0002","16.809","0.0004","105.745","0.0009","96.956","0.002","104.237","0.002","1372.53","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H31 N11 O11 S3 Zn2 -","- C12 H31 N11 O11 S3 Zn2 -","- C24 H62 N22 O22 S6 Zn4 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.7107","MoKα","","0.0506","0.0335","","","0.07","0.0764","","","","","","1.018","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216074","8.973","0.002","13.598","0.003","15.883","0.004","90","","95.179","0.004","90","","1930.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C80 H72 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.038","0.0321","","","0.0747","0.0799","","","","","","1.008","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216075","22.723","0.005","13.317","0.003","14.967","0.003","90","","117.354","0.002","90","","4022.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cd N2 O6 -","- C22 H16 Cd N2 O6 -","- C176 H128 Cd8 N16 O48 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0364","0.0343","","","0.0852","0.0866","","","","","","1.084","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216076","9.19","0.004","15.36","0.006","16.17","0.007","90","","99.11","0.005","90","","2253.7","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cd N2 O6 -","- C23 H24 Cd N2 O6 -","- C92 H96 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0753","0.0591","","","0.1331","0.1444","","","","","","1.095","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216077","25.995","0.005","11.6819","0.0013","16.66","0.003","90","","125.584","0.006","90","","4114.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cd N2 O8 -","- C20 H14 Cd N2 O6.5 -","- C160 H112 Cd8 N16 O52 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0766","0.069","","","0.1666","0.1721","","","","","","1.091","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216078","36.412","0.004","36.412","0.004","36.412","0.004","90","","90","","90","","48276","9","293","2","293","2","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","","","- C38 H51.12 O9.56 -","- C38 H44 O9.56083 -","- C1824 H2112 O458.92 -","48","1","","Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido","Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture","CrystEngComm","2005","7","73","449","","10.1039/b505375g","","","0.93931","synchrotron","","0.1046","0.104","","","0.3804","0.3841","","","","","","2.105","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216079","8.3237","0.0001","9.6149","0.0001","12.8717","0.0001","81.09","0.001","82.799","0.001","84.601","0.001","1006.75","0.018","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni O2 S2 -","- C18 H24 N4 Ni O2 S2 -","- C36 H48 N8 Ni2 O4 S4 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0297","0.0246","","","0.0855","0.0924","","","","","","0.773","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216080","16.4822","0.0002","27.7131","0.0003","22.9061","0.0003","90","","95.793","0.001","90","","10409.5","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C198 H234 N36 Ni6 O12 S12 -","- C198 H234 N36 Ni6 O12 S12 -","- C396 H468 N72 Ni12 O24 S24 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0869","0.0541","","","0.1188","0.1346","","","","","","1.003","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216081","9.2777","0.0011","9.9706","0.0012","13.3237","0.0016","79.104","0.002","83.541","0.002","86.798","0.002","1201.8","0.2","97","2","97","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2PO3))","[{Cu(mephenterpy)}VO2(HO3PCH2CH2PO3)]","","- C24 H22 Cu N3 O8 P2 V -","- C24 H22 Cu N3 O8 P2 V -","- C48 H44 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0782","0.0649","","","0.1793","0.1872","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216082","13.4729","0.0014","14.4371","0.0015","14.7309","0.0015","76.621","0.002","65.738","0.002","77.775","0.002","2519.2","0.5","92","2","92","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))2V3O6(O3PCH2CH2PO3)(HO3PCH2CH2PO3))","","","- C48 H43 Cu2 N6 O18 P4 V3 -","- C48 H43 Cu2 N6 O18 P4 V3 -","- C96 H86 Cu4 N12 O36 P8 V6 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0783","0.0663","","","0.1382","0.1453","","","","","","1.091","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216083","8.9849","0.0011","11.2108","0.0011","13.6744","0.0019","74.024","0.002","81.549","0.002","80.035","0.001","1297","0.3","96","2","96","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2CH2PO3))","","","- C25 H24 Cu N3 O8 P2 V -","- C25 H24 Cu N3 O8 P2 V -","- C50 H48 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0559","0.0447","","","0.1209","0.1272","","","","","","1.05","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216084","14.6527","0.0013","25.481","0.002","13.7823","0.0012","90","","106.866","0.002","90","","4924.5","0.7","95","2","95","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((Cu(mephenterpy))2(V2O5)2(O3PCH2CH2CH2PO3))","","","- C23.5 H20 Cu N3 O8 P V2 -","- C23.5 H20 Cu N3 O8 P V2 -","- C188 H160 Cu8 N24 O64 P8 V16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0678","0.05","","","0.1071","0.1141","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216085","27.7564","0.0018","12.7861","0.0008","17.638","0.0012","90","","125.301","0.001","90","","5108.7","0.6","96","2","96","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Cu(mephenterpy)(HO3PCH2CH2CH2CH2PO3H))","","","- C26 H29 Cu N3 O7 P2 -","- C26 H29 Cu N3 O7 P2 -","- C208 H232 Cu8 N24 O56 P16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0396","0.033","","","0.0815","0.0849","","","","","","1.047","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216086","14.923","0.003","14.426","0.003","7.544","0.002","90","","91.9","0.03","90","","1623.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O5 Zn -","- C20 H14 N2 O5 Zn -","- C80 H56 N8 O20 Zn4 -","4","0.5","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0518","0.0373","","","0.0956","0.1148","","","","","","1.01","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216087","19.997","0.002","19.997","0.002","19.997","0.002","90","","90","","90","","7996.4","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 N6 O19.5 Zn3 -","- C90 H72 N6 O19.5 Zn3 -","- C360 H288 N24 O78 Zn12 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0553","0.0472","","","0.1293","0.1333","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216088","20.342","0.0005","20.342","0.0005","20.342","0.0005","90","","90","","90","","8417.5","0.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 Cd3 N6 O19.5 -","- C90 H72 Cd3 N6 O19.5 -","- C360 H288 Cd12 N24 O78 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0378","0.0318","","","0.0847","0.0872","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216089","20.6146","0.0013","20.6146","0.0013","20.6146","0.0013","90","","90","","90","","8760.4","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H85 Cd3 N6 O18.5 -","- C96 H84 Cd3 N6 O18.5 -","- C384 H336 Cd12 N24 O74 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0579","0.035","","","0.076","0.0829","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216090","13.4837","0.0013","13.7172","0.0013","18.9414","0.0018","90","","87.155","0.003","90","","3499.1","0.6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N5 O11 P3 V -","- C30 H23 Cu2 N5 O11 P3 V -","- C120 H92 Cu8 N20 O44 P12 V4 -","4","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0878","0.0638","","","0.1098","0.1291","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216091","17.2481","0.0012","26.2681","0.0019","11.0818","0.0008","90","","90","","90","","5020.9","0.6","90","2","87","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H9 Cu0.5 N O5 P V -","- C11 H9 Cu0.5 N O5 P V -","- C176 H144 Cu8 N16 O80 P16 V16 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0373","0.0354","","","0.0807","0.0816","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216092","8.0833","0.0007","11.5444","0.001","10.5565","0.0009","90","","108.335","0.002","90","","935.09","0.14","87","2","87","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H13 Cu N2 O8 P2 V -","- C16 H13 Cu N2 O8 P2 V -","- C32 H26 Cu2 N4 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0316","0.0303","","","0.078","0.0788","","","","","","1.023","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216093","20.7505","0.001","45.726","0.002","6.0304","0.0003","90","","90","","90","","5721.9","0.5","101","2","101","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H12 Cu2 N O8 P2 -","- C11 H12 Cu2 N O8 P2 -","- C176 H192 Cu32 N16 O128 P32 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0367","0.0339","","","0.0716","0.0727","","","","","","1.097","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216094","9.7559","0.0009","13.8997","0.0013","19.7171","0.0018","101.657","0.002","93.949","0.002","110.477","0.002","2424.6","0.4","91","2","91","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 Cu2 N4 O15 P4 V2 -","- C48 H36 Cu2 N4 O15 P4 V2 -","- C96 H72 Cu4 N8 O30 P8 V4 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0738","0.0659","","","0.1846","0.1885","","","","","","1.138","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216095","14.87","0.001","25.446","0.001","8.275","0.002","90","","90","","90","","3131.1","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H18 Cl3 N O Pb S2 -","- C8 H18 Cl3 N O Pb S2 -","- C64 H144 Cl24 N8 O8 Pb8 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito","Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system","CrystEngComm","2005","7","88","544","","10.1039/b507499a","","","0.71073","MoKα","","0.054","0.0366","","","0.0896","0.0926","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216096","15.393","0.004","15.393","0.004","6.6615","0.0014","90","","90","","120","","1366.9","0.6","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H24 N6 O6 -","- C24 H12 N6 O3 -","- C48 H24 N12 O6 -","2","0.333333","","Süss, Heike I.; Neels, Antonia; Hulliger, J.","2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering","CrystEngComm","2005","7","61","370","","10.1039/b507301d","","","0.71073","MoKα","","0.1142","0.0963","","","0.259","0.2771","","","","","","1.09","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216097","24.842","0.002","18.1089","0.0017","10.8129","0.001","90","","107.213","0.001","90","","4646.4","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N10 O6 Sn -","- C52 H36 N10 O6 Sn -","- C208 H144 N40 O24 Sn4 -","4","0.5","","Kim, Hee-Joon; Jo, Hwa Jin; Kim, Jaheon; Kim, Soo-Young; Kim, Dongwoo; Kim, Kimoon","Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules","CrystEngComm","2005","7","68","417","","10.1039/b504841a","","","0.71073","MoKα","","0.053","0.0457","","","0.1259","0.1304","","","","","","1.07","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216098","6.1272","0.0008","7.262","0.001","45.252","0.006","90","","90","","90","","2013.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.0601","0.0444","","","0.1085","0.1128","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216099","6.212","0.001","7.213","0.002","44.481","0.009","90","","90","","90","","1993.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.1165","0.0843","","","0.2254","0.2437","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216100","6.1739","0.0008","7.1907","0.0009","44.763","0.007","90","","90","","90","","1987.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.126","0.1161","","","0.2475","0.2515","","","","","","1.165","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216101","9.8663","0.0009","10.7948","0.0009","12.5957","0.0009","108.446","0.007","101.895","0.007","93.506","0.007","1233.66","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","","- C64 H46 N12 -","- C64 H46 N12 -","- C64 H46 N12 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","1.54178","CuKα","","0.0515","0.0391","","","0.1042","0.1119","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216102","7.1084","0.0005","12.7044","0.0007","20.4711","0.0012","86.329","0.005","81.084","0.005","77.767","0.005","1783.96","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","","- C46 H34 N8 O -","- C46 H34 N8 O -","- C92 H68 N16 O2 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0738","0.055","","","0.126","0.1472","","","","","","1.108","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216103","14.1875","0.0008","8.7245","0.0005","23.006","0.0013","90","","101.831","0.005","90","","2787.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","","- C34 H26 N6 O2 S -","- C34 H26 N6 O2 S -","- C136 H104 N24 O8 S4 -","4","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0645","0.0399","","","0.0858","0.095","","","","","","0.922","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216104","8.5174","0.0007","8.6054","0.0009","14.5408","0.0011","99.694","0.007","93.711","0.006","115.471","0.009","937.12","0.17","140","2","140","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","","- C23 H20 N5 -","- C23 H20 N5 -","- C46 H40 N10 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0613","0.0475","","","0.1192","0.1285","","","","","","1.014","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216105","5.336","0.0008","10.8324","0.0017","11.4215","0.0017","66.689","0.015","78.508","0.012","81.096","0.013","592.02","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0768","0.055","","","0.128","0.1496","","","","","","1.114","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216106","8.4657","0.0017","9.1803","0.0018","12.904","0.003","95.69","0.03","99.32","0.03","112.12","0.03","902.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C23 H19.5 N0.5 O3 -","- C23 H18 N0.5 O3 -","- C46 H36 N O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.1033","0.049","","","0.1296","0.1509","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216107","13.501","0.003","8.8328","0.0018","17.207","0.003","90","","99.32","0.03","90","","2024.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.0485","0.0368","","","0.0908","0.0976","","","","","","1.039","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216108","26.254","0.003","11.6963","0.0012","31.383","0.005","90","","114.6","0.03","90","","8762","3","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene 1,4-diiodo-2,3,5,6-tetrafluorobenzene hemi-carbontetrachloride","","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C324 H192 Cl16 F32 I16 N40 O48 P24 -","4","0.5","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.0255","0.0205","","","0.0564","0.0571","","","","","","1.024","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216109","9.97","0.003","11.443","0.003","27.801","0.005","90","","94.14","0.03","90","","3163.4","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene","","- C34 H24 N5 O6 P3 -","- C34 H24 N5 O6 P3 -","- C136 H96 N20 O24 P12 -","4","1","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.1203","0.0621","","","0.1324","0.1614","","","","","","1.009","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216110","10.3728","0.0002","6.6329","0.0001","20.0945","0.0004","90","","94.336","0.001","90","","1378.58","0.04","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Co(H2O)6)Br2 . 2(bpdo) . 2H2O","[Co(H2O)6]Br2 . 2(bpdo) . 2H2O","","- C20 H28 Br2 Co N4 O12 -","- C20 H28 Br2.01 Co N4 O12.01 -","- C40 H56 Br4.02 Co2 N8 O24.02 -","2","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","","0.71073","MoKα","","0.0505","0.0439","","","0.1116","0.1138","","","","","","1.171","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216111","6.7328","0.0002","10.2841","0.0003","10.6577","0.0003","85.2","0.001","70.023","0.001","91.103","0.001","690.21","0.03","113","2","113","2","","","","","","","","6","P -1","-P 1","2","(Co(H2O)6)Cl2 . 2(bpdo) . 2(H2O)","[Co(H2O)6]Cl2 . 2(bpdo) . 2(H2O)","","- C20 H32 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","1","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1552","0.1055","","","0.2736","0.3124","","","","","","1.102","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216112","19.149","0.003","19.149","0.003","13.917","0.003","90","","90","","90","","5103.1","1.6","113","2","113","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","(CoI2(H2O)4) . 2(bpdo)","","","- C20 H24 Co I2 N4 O8 -","- C20 H24 Co I2 N4 O8 -","- C160 H192 Co8 I16 N32 O64 -","8","0.25","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0338","0.0186","","","0.0399","0.0441","","","","","","1.023","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216113","7.8139","0.0002","9.9126","0.0003","17.1863","0.0005","78.607","0.001","83.46","0.001","85.615","0.001","1294.47","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H16 Co N6 O14 -","- C40 H32 Co2 N12 O28 -","2","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1355","0.0704","","","0.1793","0.2094","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216114","12.129","0.002","12.907","0.003","17.896","0.004","77.49","0.03","70.25","0.03","76.28","0.03","2532.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H23 Co N6 O14 -","- C80 H92 Co4 N24 O56 -","4","2","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0896","0.0412","","","0.0913","0.1085","","","","","","1.017","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216115","7.122","0.001","25.319","0.005","10.241","0.002","90","","93.14","0.03","90","","1843.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Co(H2O)5(bpdo))SO4 . 2H2O","[Co(H2O)5(bpdo)]SO4 . 2H2O","","- C10 H22 Co N2 O13 S -","- C10 H22 Co N2 O13 S -","- C40 H88 Co4 N8 O52 S4 -","4","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0487","0.0369","","","0.0882","0.0932","","","","","","1.126","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216116","12.2972","0.0003","10.3781","0.0003","19.1675","0.0004","90","","103.598","0.002","90","","2377.62","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag As F6 N2 -","- C8 H10 Ag As F6 N2 -","- C64 H80 Ag8 As8 F48 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0482","0.0306","","","0.0684","0.0733","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216117","12.3792","0.0005","10.6135","0.0003","19.1059","0.0007","90","","101.732","0.002","90","","2457.82","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 Sb -","- C8 H10 Ag F6 N2 Sb -","- C64 H80 Ag8 F48 N16 Sb8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0351","0.0259","","","0.0641","0.0667","","","","","","1.047","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216118","12.3034","0.0003","10.1981","0.0003","19.2165","0.0006","90","","105.077","0.001","90","","2328.12","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 P -","- C8 H10 Ag F6 N2 P -","- C64 H80 Ag8 F48 N16 P8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0335","0.0261","","","0.0713","0.0756","","","","","","1.001","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216119","11.83","0.002","10.034","0.002","17.741","0.004","90","","90","","90","","2105.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag B F4 N2 -","- C8 H10 Ag B F4 N2 -","- C64 H80 Ag8 B8 F32 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0292","0.0228","","","0.0595","0.0638","","","","","","1.02","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216120","11.8146","0.0014","9.8538","0.0011","13.4621","0.0016","90","","102.271","0.003","90","","1531.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triphelyn phosphite","triphelyn phosphite","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Long-awaited polymorphic modification of triphenyl phosphite","CrystEngComm","2005","7","77","465","","10.1039/b505052a","","","0.71073","MoKα","","0.1099","0.0576","","","0.1071","0.1177","","","","","","1.058","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216125","3.641","0.005","9.363","0.014","17.51","0.03","90","","92.5","0.02","90","","596.4","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium rhodizonate","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C16 H24 N12 O12 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","An unexpected network in guanidinium rhodizonate","CrystEngComm","2005","7","105","629","","10.1039/b513300a","","","0.71073","MoKα","","0.2317","0.0986","","","0.2223","0.2572","","","","","","0.826","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216126","7.334","0.0006","7.6604","0.0006","16.1964","0.0011","90","","95.632","0.002","90","","905.54","0.12","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.064","0.049","","","0.114","0.122","","","","","","1.06","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216127","5.6059","0.0008","7.9101","0.0011","11.9617","0.0013","99.223","0.003","101.517","0.003","100.21","0.004","500.87","0.11","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C20 H22 N2 O4 S2 -","2","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.087","0.069","","","0.211","0.221","","","","","","1.17","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216128","14.5243","0.001","7.7142","0.0006","17.276","0.0012","90","","110.56","0.002","90","","1812.4","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl N O S -","- C8 H8 Cl N O S -","- C64 H64 Cl8 N8 O8 S8 -","8","2","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.062","0.043","","","0.112","0.121","","","","","","1.04","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216129","8.1538","0.0009","6.8174","0.0008","18.976","0.002","90","","97.586","0.003","90","","1045.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.073","0.047","","","0.115","0.125","","","","","","0.96","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7224785","22.5563","0.001","17.1001","0.001","11.3279","0.001","90","","108.512","0.01","90","","4143.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Ag F6 N4 O0 Sb -","- C17 H15 Ag F6 N4 Sb -","- C136 H120 Ag8 F48 N32 Sb8 -","8","1","","Jiang, Ji-Jun; Li, Xiang-Ping; Zhang, Xue-Li; Kang, Bei-Sheng; Su, Cheng-Yong","A new Ag(I)-4,4'-bipyridine coordination polymer of honeycomb (6,3) networks containing a Ag~6~(4,4'-bipy)~6~ hexagonal ring of 17 ×26 Å dimensions","CrystEngComm","2005","7","99","603","607","10.1039/b512098e","","","0.71073","MoKα","","0.1841","0.0724","","","0.1153","0.1439","","","","","","1.008","","","","has coordinates","180919","2020-10-21","18:00:00",""
"7238087","10.779","0.002","11.647","0.002","17.741","0.004","86.46","0.03","83.91","0.03","63.32","0.03","1978.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0698","0.0473","","","0.1123","0.1264","","","","","","1.037","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238088","21.22","0.004","15.343","0.003","24.707","0.005","90","","109.23","0.03","90","","7595","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H28.4 Cl3 Mo12 N6 O42.2 P -","- C30 H21 Cl3 Mo12 N6 O42.2 P -","- C120 H84 Cl12 Mo48 N24 O168.8 P4 -","4","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0782","0.0571","","","0.1596","0.1741","","","","","","1.023","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238089","9.783","0.002","14.444","0.003","15.724","0.003","88.09","0.03","72.05","0.03","79.4","0.03","2077","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H55 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0872","0.0614","","","0.1774","0.1966","","","","","","1.04","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238090","9.897","0.002","14.401","0.003","15.775","0.003","87.64","0.03","72.1","0.03","79.24","0.03","2101.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0787","0.0706","","","0.1504","0.1538","","","","","","1.199","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238091","9.1196","0.0005","37.326","0.001","8.8987","0.0004","90","","90","","90","","3029.1","0.2","293","2","293","2","","","","","","","","6","C 2 e b","C -2ac 2","41","","","","- C9 H21 I7 N3 O4 Pb2 -","- C9 H18 I7 N3 O4 Pb2 -","- C36 H72 I28 N12 O16 Pb8 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","0.066","0.0365","","","0.0627","0.0683","","","","","","1.018","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238092","8.904","0.001","9.266","0.001","24.261","0.003","90","","90","","90","","2001.6","0.4","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","","0.0277","","","","0.0738","","","","","","0.997","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238093","11.3793","0.0009","9.6944","0.0007","13.5323","0.001","90","","90","","90","","1492.82","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H4 Cu I N2 -","- C7 H4 Cu I N2 -","- C56 H32 Cu8 I8 N16 -","8","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0718","0.0636","","","0.1882","0.1949","","","","","","1.167","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238094","15.8807","0.0012","4.1476","0.0003","17.2672","0.0013","90","","111.929","0.001","90","","1055.05","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu2 I2 N2 -","- C7 H6 Cu2 I2 N2 -","- C28 H24 Cu8 I8 N8 -","4","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0488","0.0373","","","0.0954","0.1135","","","","","","1.105","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238095","6.7802","0.0009","6.7802","0.0009","27.425","0.007","90","","90","","90","","1260.8","0.4","100","0.2","100","0.2","","","","","","","","3","P 41","P 4w","76","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0436","0.0422","","","0.0986","0.0993","","","","","","1.224","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238096","9.2811","0.0019","9.926","0.002","13.927","0.003","92.912","0.003","101.065","0.003","91.848","0.004","1256.4","0.5","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","2","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0714","0.0519","","","0.1322","0.1458","","","","","","1.021","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238097","5.958","0.005","5.994","0.005","9.867","0.008","86.177","0.013","82.547","0.013","73.2","0.012","334.3","0.5","292","2","292","2","","","","","","","","3","P -1","-P 1","2","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","","- C14 H24 O4 -","- C14 H24 O4 -","- C14 H24 O4 -","1","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0576","0.0504","","","0.1405","0.1471","","","","","","1.058","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238098","6.4271","0.0005","12.845","0.001","13.122","0.001","87.403","0.001","78.592","0.001","87.916","0.001","1060.39","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0538","0.0464","","","0.1279","0.1356","","","","","","1.059","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238099","7.0847","0.0004","12.3248","0.0006","12.7151","0.0007","88.999","0.001","74.24","0.001","86.511","0.001","1066.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0373","0.0308","","","0.0821","0.0872","","","","","","1.045","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238100","12.388","0.001","13.834","0.002","14.151","0.002","64.58","0.002","67.931","0.002","83.78","0.002","2025.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N2 O5 Pd -","- C42 H42 I2 N2 O5 Pd -","- C84 H84 I4 N4 O10 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0902","0.0503","","","0.1317","0.1615","","","","","","1.001","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238101","10.955","0.002","11.153","0.002","14.248","0.003","91.81","0.003","91.062","0.004","105.529","0.003","1675.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I2 N2 O2 Pd -","- C36 H30 I2 N2 O2 Pd -","- C72 H60 I4 N4 O4 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.1475","0.111","","","0.3493","0.3703","","","","","","1.308","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238102","8.36","0.0017","8.478","0.0017","22.484","0.006","90","","107.92","0.03","90","","1516.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd2 N2 O9 -","- C14 H8 Cd2 N2 O9 -","- C56 H32 Cd8 N8 O36 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0372","0.0275","","","0.0652","0.0681","","","","","","1.085","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238103","9.142","0.0018","9.597","0.0019","9.904","0.002","117.25","0.03","104.93","0.03","98.44","0.03","710.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd N3 O8 -","- C11 H11 Cd N3 O8 -","- C22 H22 Cd2 N6 O16 -","2","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0439","0.0325","","","0.0789","0.0835","","","","","","1.074","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238104","8.1781","0.0009","10.4752","0.0012","17.291","0.002","78.35","0.02","84.08","0.02","81.4","0.03","1430.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","1","0.5","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0694","0.0427","","","0.0811","0.0854","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238105","7.8679","0.0019","15.969","0.004","8.078","0.002","90","","114.515","0.01","90","","923.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0415","0.0319","","","0.0579","0.0605","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238106","33.839","0.005","5.6356","0.0009","17.58","0.003","90","","116.787","0.003","90","","2992.8","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu2 N4 O11 -","- C34 H22 Cu2 N4 O11 -","- C136 H88 Cu8 N16 O44 -","4","0.5","","Ghoshal, Debajyoti; Ghosh, Ananta Kumar; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Synthesis, crystal structure and magnetic behavior of a croconato bridged Cu(ii) complex: effect of C‒H⋯O interaction in controlling the coordination bond formation in organic‒inorganic hybrid","CrystEngComm","2005","7","102","616","","10.1039/b511251f","","","0.71073","MoKα","","0.1282","0.0563","","","0.1252","0.1396","","","","","","0.885","","","","has coordinates","244070","2020-10-21","18:00:00",""
"7238107","7.9398","0.001","8.2908","0.0011","8.5591","0.0011","83.699","0.002","87.174","0.002","86.834","0.002","558.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-dichloro[2-(phenylselanyl)ethanamine]platinum(II)","","- C8 H11 Cl2 N Pt Se -","- C8 H11 Cl2 N Pt Se -","- C16 H22 Cl4 N2 Pt2 Se2 -","2","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0323","0.0303","","","0.0783","0.0794","","","","","","1.043","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238108","10.5679","0.0008","10.7752","0.0009","11.4873","0.0009","90","","98.485","0.001","90","","1293.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dichloro[2-benzylselanyl)ethanamine]platinum(II)","","- C9 H13 Cl2 N Pt Se -","- C9 H13 Cl2 N Pt Se -","- C36 H52 Cl8 N4 Pt4 Se4 -","4","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0516","0.0469","","","0.1102","0.1115","","","","","","1.047","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238109","16.199","0.003","23.421","0.003","8.289","0.002","90","","90","","90","","3144.8","1","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 Fe N10 O6.5 -","- C22 H26 Cl2.5 Fe N10 O6 -","- C88 H104 Cl10 Fe4 N40 O24 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.063","","","","0.073","","","","","","1.91","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238110","11.733","0.002","11.733","0.002","20.664","0.004","90","","90","","90","","2844.7","0.9","294","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H26 Cl2 Fe N14 O6 -","- C18 H14 Cl2 Fe N14 O6 -","- C72 H56 Cl8 Fe4 N56 O24 -","4","0.25","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.071","","","","0.105","","","","","","1.7","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238111","16.299","0.004","23.473","0.005","8.339","0.002","90","","90","","90","","3190.4","1.3","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 N10 O6.5 Ru -","- C22 H26 Cl2.5 N10 O6 Ru -","- C88 H104 Cl10 N40 O24 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.95","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238112","8.836","0.003","20.969","0.004","17.825","0.004","90","","91.26","0.02","90","","3301.9","1.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl2 N6 O6 Ru -","- C30 H22 Cl7 N6 O Ru -","- C120 H88 Cl28 N24 O4 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.056","","","","0.069","","","","","","1.87","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238113","9.6207","0.0003","11.1229","0.0003","11.5791","0.0003","75.102","0.001","73.232","0.001","71.184","0.001","1104.44","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.85 P -","- C24 H24 Cl O3.85 P -","- C48 H48 Cl2 O7.7 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0376","0.0337","","","0.0919","0.0943","","","","","","1.07","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238114","9.6277","0.0011","11.1642","0.0013","11.6014","0.0014","75.114","0.002","73.164","0.002","71.148","0.003","1111","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.9 P -","- C24 H24 Cl O3.9 P -","- C48 H48 Cl2 O7.8 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.071","0.0565","","","0.1307","0.1367","","","","","","1.073","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238115","9.6029","0.0006","11.128","0.0007","11.5333","0.0007","75.131","0.001","73.415","0.001","71.343","0.001","1100.42","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.73 P -","- C24 H24 Cl O3.73 P -","- C48 H48 Cl2 O7.46 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.047","0.0406","","","0.0996","0.1033","","","","","","1.034","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238116","9.5924","0.0005","11.1652","0.0006","11.9082","0.0006","75.233","0.001","71.189","0.001","70.977","0.001","1125.23","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.84 P -","- C24 H24 Br O3.84 P -","- C48 H48 Br2 O7.68 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0509","0.035","","","0.0765","0.0811","","","","","","1.03","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238117","10.8495","0.0006","16.3505","0.0009","12.8342","0.0007","90","","91.889","0.001","90","","2275.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.5 P -","- C24 H24 Br O3.5 P -","- C96 H96 Br4 O14 P4 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0689","0.0376","","","0.0829","0.0908","","","","","","0.985","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238118","9.6626","0.0006","11.1999","0.0007","11.5831","0.0008","75.261","0.001","73.801","0.001","71.866","0.001","1124.51","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H24 As Cl O3.85 -","- C24 H24 As Cl O3.85 -","- C48 H48 As2 Cl2 O7.7 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.028","0.0258","","","0.0633","0.0642","","","","","","1.062","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238119","10.4668","0.0003","15.9259","0.0004","13.1947","0.0003","90","","101.444","0.001","90","","2155.74","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium chloride, hydrogenperoxide solvate","","- C24 H23 As Cl O3 -","- C24 H23 As Cl O3 -","- C96 H92 As4 Cl4 O12 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0358","0.0277","","","0.0715","0.0744","","","","","","1.055","","","","has coordinates","244073","2020-10-21","18:00:00",""
"7238120","10.8149","0.0002","12.7601","0.0003","15.4838","0.0004","82.691","0.001","80.994","0.001","86.723","0.001","2091.75","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H22 As Cl O1.98 -","- C24 H22 As Cl O1.98 -","- C96 H88 As4 Cl4 O7.92 -","4","2","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0482","0.0322","","","0.0761","0.0805","","","","","","0.983","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238121","9.771","0.003","10.467","0.006","11.703","0.007","99.62","0.03","101.62","0.04","117.14","0.03","996.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0718","0.0485","","","0.1172","0.1406","","","","","","0.932","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238122","12.007","0.006","9.772","0.005","21.546","0.011","90","","98.194","0.003","90","","2502","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-formylphenyl)methane: benzene inclusion","","","- C30 H30 O3 -","- C30 H30 O3 -","- C120 H120 O12 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1301","0.073","","","0.1912","0.2459","","","","","","1.014","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238123","12.11","0.004","9.815","0.003","21.26","0.006","90","","97.277","0.002","90","","2506.6","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-nitrophenyl)methane with benzene","","","- C28 H28 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1362","0.0626","","","0.1606","0.1966","","","","","","1.021","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238124","35.873","0.002","35.873","0.002","6.108","0.01","90","","90","","120","","6807","11","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","Bis(4-hydroxyphenyl)phenylmethane","Bis(4-hydroxyphenyl)phenylmethane","","- C114 H98 O13 -","- C19 H16 O2.16667 -","- C342 H288 O39 -","18","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0751","0.0572","","","0.1643","0.1841","","","","","","1.037","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238125","11.482","0.012","11.739","0.011","12.465","0.013","62.491","0.006","63.027","0.006","62.88","0.006","1262","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(4-hydroxy-2,6-dimethylphenyl)(4- aminophenyl)methane:Toluene solvate","","","- C30 H33 N O2 -","- C20 H22 N0.666667 O1.33333 -","- C60 H66 N2 O4 -","3","1.5","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1293","0.0794","","","0.2325","0.262","","","","","","1.151","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238126","9.692","0.002","11.739","0.003","12.104","0.007","112.155","0.003","101.102","0.004","91.062","0.004","1245.3","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","(Bis(4-hydroxy-3,5-dimethylphenyl)(4-hydroxyphenyl))methane","","","- C30 H32 O3 -","- C30 H31 O3 -","- C60 H62 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.081","0.0663","","","0.1893","0.2065","","","","","","1.045","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238127","5.331","0.004","14.537","0.013","15.166","0.014","85.576","0.006","88.042","0.006","85.168","0.006","1167.2","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(((4-hydroxy-3,5-dimethylphenyl)methyl)phenyl)nicotinamide","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1312","0.0797","","","0.0978","0.1503","","","","","","0.872","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238128","7.746","0.004","10.408","0.005","12.556","0.007","90","","100.061","0.008","90","","996.7","0.9","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0386","0.0359","","","0.0978","0.0996","","","","","","1.03","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238129","6.1134","0.0013","7.6139","0.0013","11.668","0.002","102.319","0.003","97.916","0.003","91.829","0.002","524.49","0.17","295","2","296","2","","","","","","","","3","P -1","-P 1","2","annulated myo-inositol","(1R*,2R*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.1005","0.0577","","","0.1353","0.1549","","","","","","1.017","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238130","12.559","0.004","12.916","0.004","13.86","0.004","87.959","0.006","87.627","0.006","70.606","0.006","2118.3","1.1","292","2","292","2","","","","","","","","3","P -1","-P 1","2","annulated chiro-inositol","(1R*,2S*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C80 H144 O48 -","8","4","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0916","0.0499","","","0.1116","0.1294","","","","","","0.967","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238131","13.7281","0.0005","10.14","0.0004","13.8928","0.0006","90","","118.578","0.001","90","","1698.3","0.12","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","","- C8.67 H17.57 N2.33 O3.29 -","- C8.66667 H17.574 N2.33333 O3.287 -","- C52 H105.444 N14 O19.722 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0436","0.0373","","","0.0928","0.0962","","","","","","1.059","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238132","14.4539","0.0018","14.4539","0.0018","9.996","0.003","90","","90","","120","","1808.5","0.6","105","2","105","2","","","","","","","","4","P 61","P 61","169","L-Valyl-L-alanine","L-Valyl-L-alanine","","- C8.41 H16 N2 O3 -","- C8.411 H16 N2 O3 -","- C50.466 H96 N12 O18 -","6","1","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0564","0.0393","","","0.0875","0.0958","","","","","","1.11","","","","has coordinates","244076","2020-10-21","18:00:00",""
"7238133","14.0668","0.0013","9.8053","0.001","14.1915","0.0014","90","","116.172","0.002","90","","1756.7","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.28 H16 F0.85 N2 O4.13 -","- C8.27967 H16 F0.855 N2 O4.12933 -","- C49.678 H96 F5.13 N12 O24.776 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0601","0.0455","","","0.1135","0.1213","","","","","","1.139","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238134","14.0999","0.0014","9.814","0.001","14.2142","0.0014","90","","116.14","0.002","90","","1765.7","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.55 H15.94 N2 O4.08 -","- C8.56233 H15.9407 N2 O4.086 -","- C51.374 H95.644 N12 O24.516 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0598","0.0389","","","0.0908","0.1","","","","","","1.114","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238135","13.687","0.004","15.018","0.004","17.572","0.005","82.449","0.005","75.466","0.005","62.991","0.005","3114.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 Mn2 N6 O8 -","- C76 H50 Mn2 N6 O8 -","- C152 H100 Mn4 N12 O16 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.1503","0.0576","","","0.0918","0.1175","","","","","","0.946","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238136","12.203","0.004","21.137","0.004","10.774","0.004","90","","90","","90","","2779","1.5","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C30 H24 Mn N6 O4 -","- C30 H24 Mn N6 O4 -","- C120 H96 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0767","0.0403","","","0.0897","0.1089","","","","","","1.021","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238137","12.0122","0.0018","10.5592","0.0015","25.048","0.004","90","","90","","90","","3177.1","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Mn N6 O4 -","- C38 H28 Mn N6 O4 -","- C152 H112 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0682","0.036","","","0.0886","0.0984","","","","","","1.035","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238138","8.6036","0.001","12.7431","0.0015","14.4016","0.0016","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0468","0.0309","","","0.0784","0.085","","","","","","1.045","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238139","4.3539","0.0008","13.406","0.003","14.073","0.003","90","","92.616","0.004","90","","820.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0646","0.0485","","","0.1443","0.1573","","","","","","0.974","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238140","8.4446","0.0002","12.9028","0.0003","14.4186","0.0003","90","","90","","90","","1571.04","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0454","0.0405","","","0.1049","0.1086","","","","","","1.06","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238141","13.498","0.003","4.3186","0.001","14.938","0.003","90","","111.365","0.004","90","","810.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0506","0.0395","","","0.1021","0.1111","","","","","","1.053","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238142","4.5023","0.0004","8.5886","0.0008","21.297","0.002","90","","90","","90","","823.52","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dimethyl-N-phenylformamide","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0348","0.031","","","0.1001","0.1074","","","","","","0.664","","","","has coordinates","244078","2020-10-21","18:00:00",""