# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T22:28:45+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 19 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
"1546484","10.443","0.008","12.603","0.011","17.396","0.016","110.9","0.02","98.5","0.02","90.185","0.019","2112","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Isonicotinamide + 3MeO benzoic acid From MeCN","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C88 H88 N8 O28 -","4","2","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1252","0.0657","","","0.1658","0.207","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546485","5.222","0.004","8.817","0.007","14.578","0.011","101.606","0.018","94.434","0.016","94.826","0.018","652.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","7H Benzamide + 3-Fluorobenzoic Acid","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C28 H24 F2 N2 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.182","0.0716","","","0.1504","0.2046","","","","","","0.974","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546486","11.012","0.002","4.0528","0.0008","32.335","0.006","90","","94.648","0.004","90","","1438.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","44'Bipyridyl + 2-Fluorobenzoic acid cocrystal","4,4'-Bipyridyl 2-Fluorobenzoic Acid","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0835","0.0589","","","0.1823","0.2075","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546487","8.084","0.004","12.756","0.006","9.49","0.004","90","","93.543","0.012","90","","976.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Urea and 2-Nitrobenzoic Acid","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C32 H36 N12 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1156","0.0712","","","0.176","0.2452","","","","","","0.997","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546488","10.878","0.003","12.704","0.004","15.328","0.005","90","","107.034","0.009","90","","2025.3","1.1","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicotinamide + mToluic Acid from EtOH","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1629","0.0672","","","0.1559","0.2008","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546489","27.715","0.003","7.0371","0.0007","21.947","0.002","90","","105.132","0.004","90","","4132","0.7","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Nicotinamide + 2Nitrobenzoic Acid from MeCN","","","- C20 H16 N4 O9 -","- C20 H16 N4 O9 -","- C160 H128 N32 O72 -","8","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0539","0.0401","","","0.0994","0.1092","","","","","","1.019","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546490","10.479","0.002","4.9873","0.0009","12.644","0.003","90","","109.361","0.005","90","","623.4","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nicotinamide + 2Aminobenzoic Acid from EtOH","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0363","0.0305","","","0.07","0.0744","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546491","11.8242","0.0018","10.035","0.0015","15.06","0.002","90","","104.953","0.002","90","","1726.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Urea + 2Nitrobenzoic Acid from MecN","","","- C15 H14 N4 O9 -","- C15 H14 N4 O9 -","- C60 H56 N16 O36 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0464","0.0366","","","0.0933","0.1012","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546492","13.629","0.016","7.151","0.008","13.651","0.015","90","","115.649","0.017","90","","1199","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide 4-Fluorobenzoic Acid Cocrystal","Nicotinamide 4-Fluorobenzoic Acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C52 H44 F4 N8 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0609","0.0392","","","0.1015","0.1135","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546493","7.988","0.003","11.004","0.005","12.725","0.006","73.939","0.01","75.605","0.01","89.042","0.011","1039.5","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","7A Benzamide + 2-Nitrobenzoic Acid","Benzamide 2-nitrobenzoic acid","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C42 H34 N6 O18 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1601","0.0657","","","0.1747","0.2499","","","","","","0.909","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546494","7.1167","0.0005","7.559","0.0005","12.8081","0.0009","85.164","0.002","75.933","0.002","85.895","0.002","665.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Nicotinamide + 2Nitrobenzoic Acid","Nicotinamide 2-Nitrobenzoic Acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0556","0.0397","","","0.1046","0.1159","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546495","8.873","0.002","34.245","0.008","9.175","0.002","90","","105.942","0.008","90","","2680.7","1.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Nitrobenzoic Acid + Isonicotinamide","","","- C26 H22 N6 O10 -","- C26 H22 N6 O10 -","- C104 H88 N24 O40 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0661","0.0469","","","0.1235","0.1394","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546496","12.516","0.005","10.899","0.004","9.306","0.003","90","","95.296","0.012","90","","1264","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isonicotinamide + 2-Aminobenzoic Acid","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1847","0.0853","","","0.1978","0.2536","","","","","","1.015","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546821","9.4175","0.0005","17.1528","0.0009","28.9801","0.0016","79.223","0.003","89.723","0.004","82.329","0.003","4556.6","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H154 Br6 Cu N8 O5 -","- C80 H154 Br6 Cu N8 O5 -","- C160 H308 Br12 Cu2 N16 O10 -","2","1","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.1011","0.0919","","","0.2301","0.2348","","","","","","1.113","","","","has coordinates","210954","2020-10-21","18:00:00",""
"1546822","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","210324","2020-10-21","18:00:00",""
"1546843","8.233","0.0008","9.737","0.0008","10.4837","0.001","107.355","0.003","101.071","0.004","111.799","0.003","699.98","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0329","0.0282","","","0.0682","0.0707","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546845","8.0042","0.0002","11.5133","0.0003","17.4969","0.0005","90","","114.231","0.001","90","","1470.37","0.07","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H22 N4 Ni3 O16 -","- C28 H22 N4 Ni3 O16 -","- C56 H44 N8 Ni6 O32 -","2","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0432","0.0336","","","0.0797","0.0843","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546846","18.151","0.0009","11.5168","0.0005","15.9081","0.0008","90","","117.996","0.002","90","","2936.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Co3 N4 O16 -","- C28 H22 Co3 N4 O16 -","- C112 H88 Co12 N16 O64 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.066","0.0413","","","0.0885","0.0973","","","","","","1.008","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546847","26.783","0.003","10.9091","0.001","28.532","0.004","90","","145.631","0.006","90","","4706.1","1.2","103","4","103","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cd Cl2 N8 O9 -","- C32 H20 Cd Cl2 N8 O9 -","- C128 H80 Cd4 Cl8 N32 O36 -","4","0.5","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1372","0.1049","","","0.3075","0.3391","","","","","","1.173","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546850","9.5455","0.0004","13.8394","0.0006","17.274","0.0008","90","","102.492","0.004","90","","2227.94","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd Cl3 N6 O7 -","- C17 H11 Cd Cl3 N6 O7 -","- C68 H44 Cd4 Cl12 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0489","0.0341","","","0.0638","0.0714","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546851","17.3051","0.0005","8.1682","0.0002","12.9742","0.0004","90","","108.332","0.003","90","","1740.85","0.09","288.88","0.16","288.88","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd N6 O7 -","- C16 H10 Cd N6 O7 -","- C64 H40 Cd4 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0397","0.0293","","","0.0595","0.0663","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546852","30.6123","0.001","30.6123","0.001","29.4707","0.0012","90","","90","","120","","23917.3","1.5","108","11","108","11","","","","","","","","6","R -3","-R 3","148","","","","- C32 H20 Cl2 Cu N8 O10 -","- C32 H20 Cl2 Cu N8 O10 -","- C576 H360 Cl36 Cu18 N144 O180 -","18","","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1369","0.1114","","","0.3184","0.3363","","","","","","1.095","","","","has coordinates","282777","2023-04-20","11:56:49",""
"7226764","11.7568","0.0009","15.0687","0.001","11.1422","0.0007","90","","90","","90","","1973.9","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C88 H72 Fe4 N8 O20 Zn4 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","1.54184","CuKα","","0.031","0.0277","","","0.0785","0.081","","","","","","1.061","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226765","12.016","0.002","14.441","0.002","11.1347","0.0015","90","","90","","90","","1932.1","0.5","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C88 H72 Cu4 Fe4 N8 O20 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","0.71073","MoKα","","0.0666","0.0467","","","0.1227","0.1416","","","","","","1.073","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226883","16.685","0.0005","5.027","0.0002","22.863","0.0007","90","","96.02","0.002","90","","1907.07","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O7 -","- C22 H20 N2 O7 -","- C88 H80 N8 O28 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0421","0.0344","","","0.0843","0.091","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226884","16.4774","0.001","5.1561","0.0004","24.853","0.0016","90","","92.793","0.004","90","","2109","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C96 H96 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0782","0.0612","","","0.1761","0.1902","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226885","43.491","0.005","5.2413","0.0005","19.472","0.002","90","","104.452","0.004","90","","4298.2","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C208 H192 N16 O40 -","8","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1059","0.0507","","","0.12","0.1484","","","","","","1.02","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226886","32.3856","0.0016","5.3119","0.0002","15.6793","0.0008","90","","110.527","0.003","90","","2526","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0952","0.0726","","","0.2056","0.236","","","","","","1.046","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226887","13.856","0.0007","20.5314","0.0011","13.6341","0.0007","90","","116.97","0.002","90","","3456.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 O5 -","- C40 H40 N2 O5 -","- C160 H160 N8 O20 -","4","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1039","0.0554","","","0.1462","0.1906","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226904","7.6148","0.0009","7.8988","0.0008","24.473","0.003","90","","90","","90","","1472","0.3","120","2","120","2","","","","","","","","4","C m c e","-C 2ac 2","64","","?DW-X-7-SEB 2-amino-5-(iodoethynyl)-pyrimidine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.1004","0.0865","","","0.1898","0.1975","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226905","4.3404","0.0007","7.7073","0.0012","8.6344","0.0015","90","","91.363","0.009","90","","288.76","0.08","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","DW-Y-2 2-amino-5-ethynylpyrimidine","","- C6 H5 N3 -","- C6 H5 N3 -","- C12 H10 N6 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0524","0.0416","","","0.1199","0.1299","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226906","5.7837","0.0005","6.113","0.0005","16.4016","0.0014","98.086","0.004","92.18","0.004","101.892","0.004","560.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DW-X-8-DOD [2-amino-5-(iodoethynyl)-pyrimidine]2, 2,3,5,6-Me4-pyrazine","","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0384","0.0319","","","0.0887","0.0919","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226907","5.7849","0.0018","6.0656","0.0018","14.756","0.005","79.742","0.008","88.831","0.008","80.342","0.007","502.3","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-8 (2-amino-5-ethynylpyrimidine)2, 2,3,5,6-Me4-pyrazine","","- C20 H22 N8 -","- C20 H22 N8 -","- C20 H22 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.067","0.0463","","","0.1222","0.1365","","","","","","1.099","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226908","19.625","0.002","7.5472","0.0007","8.2583","0.0008","90","","100.95","0.004","90","","1200.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DW-X-4 [2-amino-5-(iodoethynyl)-pyrimidine]2, 1,2-bis(4-pyridyl)ethylene","","- C24 H18 I2 N8 -","- C24 H18 I2 N8 -","- C48 H36 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0305","0.0242","","","0.0539","0.0567","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226909","5.9068","0.0006","11.5286","0.0012","15.8169","0.0016","104.471","0.004","93.042","0.005","95.934","0.004","1033.84","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-4 2-amino-5-ethynylpyrimidine, (1,2-bis(4-pyridyl)ethylene)2","","- C24 H20 N8 -","- C24 H20 N8 -","- C48 H40 N16 -","2","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0879","0.0573","","","0.1611","0.1814","","","","","","1.096","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7227061","21.5317","0.0007","9.9017","0.0003","16.3749","0.0005","90","","90","","90","","3491.14","0.19","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Eu Mo N12 O7 -","- C23 H42 Eu Mo N12 O7 -","- C92 H168 Eu4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0475","0.0451","","","0.09","0.0932","","","","","","1.123","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227062","21.4968","0.0012","9.8959","0.0005","16.3664","0.0008","90","","90","","90","","3481.6","0.3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Gd Mo N12 O7 -","- C23 H42 Gd Mo N12 O7 -","- C92 H168 Gd4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0429","0.0405","","","0.0866","0.0886","","","","","","1.091","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227120","31.654","0.002","9.7728","0.0007","37.31","0.002","90","","90","","90","","11541.8","1.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H63 N3 O14 Zn2 -","- C54.36 H53.04 N2 O12.36 Zn2 -","- C434.88 H424.32 N16 O98.88 Zn16 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2249","0.146","","","0.3889","0.4154","","","","","","1.208","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227121","32.094","0.002","9.8357","0.0007","37.7628","0.0016","90","","90","","90","","11920.5","1.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H72 Co2 N4 O15 -","- C55 H54 Co2 N2 O13 -","- C440 H432 Co16 N16 O104 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","","1.54184","CuKα","","0.1346","0.0836","","","0.2382","0.2812","","","","","","1.029","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227122","23.7409","0.0014","23.9301","0.0014","31.1933","0.0016","68.75","0.005","88.214","0.004","60.764","0.006","14179","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C264 H331 N21 O62 Zn6 -","- C204 H189 N6 O47 Zn6 -","- C408 H378 N12 O94 Zn12 -","2","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2211","0.1727","","","0.4367","0.4728","","","","","","1.484","","","","has coordinates","191557","2020-10-21","18:00:00",""
"7227125","12.5078","0.0009","8.3906","0.0006","11.3259","0.0009","90","","116.232","0.004","90","","1066.21","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N2 -","- C13 H11 F N2 -","- C52 H44 F4 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0731","0.0494","","","0.125","0.1388","","","","","","1.073","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227126","22.9004","0.0012","11.908","0.0006","8.2228","0.0005","90","","104.178","0.003","90","","2174","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.101","0.085","","","0.2131","0.2268","","","","","","1.107","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227127","9.4875","0.0003","11.5929","0.0004","10.3365","0.0003","90","","93.915","0.002","90","","1134.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0753","0.0574","","","0.1413","0.1511","","","","","","1.073","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227128","9.6935","0.0003","10.9094","0.0003","10.3672","0.0003","90","","94.576","0.002","90","","1092.84","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0433","0.038","","","0.0966","0.1003","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227131","10.6305","0.0008","13.32","0.001","16.2613","0.0012","90","","107.408","0.004","90","","2197.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KHC-053","","","- C20 H16 N2 O8 Zn2 -","- C20 H16 N2 O8 Zn2 -","- C80 H64 N8 O32 Zn8 -","4","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.1686","0.0739","","","0.1791","0.219","","","","","","0.985","","","","has coordinates,has disorder","191577","2020-10-21","18:00:00",""
"7227132","8.8979","0.0003","21.4587","0.0007","13.4851","0.0004","90","","96.7804","0.0016","90","","2556.8","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4.5 Zn -","- C16 H12 N2 O4.5 Zn -","- C64 H48 N8 O18 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0596","0.0494","","","0.1399","0.145","","","","","","1.106","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227133","8.1425","0.0002","9.1496","0.0002","11.5118","0.0003","97.185","0.0016","96.2776","0.0017","102.745","0.0016","821.58","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","CIH065R","","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C36 H36 N4 O8 Zn2 -","2","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.0892","0.065","","","0.1444","0.159","","","","","","1.041","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227134","12.396","0.003","13.262","0.003","15.772","0.003","90","","90","","90","","2592.8","1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C72 H56 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2084","0.0753","","","0.1912","0.2263","","","","","","0.859","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227135","8.8583","0.0002","21.437","0.0005","13.5925","0.0003","90","","95.7932","0.0012","90","","2567.97","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0549","0.0412","","","0.0899","0.0934","","","","","","1.137","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227136","12.471","0.003","13.306","0.003","15.711","0.003","90","","90","","90","","2607.1","1","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H14 I0.1 N2 O4 Zn -","- C18 H14 I0.1 N2 O4 Zn -","- C72 H56 I0.4 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2318","0.0894","","","0.1491","0.2079","","","","","","1.051","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227139","12.5902","0.0005","13.8557","0.0006","7.0755","0.0003","90","","93.443","0.004","90","","1232.07","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C52 H44 Co4 N4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0588","0.0411","","","0.0764","0.086","","","","","","1.06","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227140","11.4833","0.0008","12.8687","0.0006","15.1022","0.0008","90","","97.349","0.006","90","","2213.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Co N3 O6 -","- C23 H19 Co N3 O6 -","- C92 H76 Co4 N12 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0752","0.0478","","","0.0865","0.1006","","","","","","1.001","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227141","10.035","0.0003","11.632","0.0003","18.666","0.0006","90","","90","","90","","2178.83","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C100 H68 Co4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0501","0.0399","","","0.0798","0.0861","","","","","","1.012","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227142","12.5528","0.0007","14.2273","0.0007","7.1047","0.0004","90","","93.315","0.005","90","","1266.72","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Ni O12 -","- C26 H24 N2 Ni O12 -","- C52 H48 N4 Ni2 O24 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0799","0.0498","","","0.0831","0.0995","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227143","12.5405","0.0004","13.8008","0.0004","7.0319","0.0003","90","","93.828","0.003","90","","1214.29","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C52 H44 N4 Ni4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0475","0.0352","","","0.0753","0.0838","","","","","","1.065","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227144","12.523","0.004","14.22","0.003","7.0884","0.0019","90","","93.4","0.04","90","","1260.1","0.6","295.69","0.16","295.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O12 Zn -","- C26 H24 N2 O12 Zn -","- C52 H48 N4 O24 Zn2 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1023","0.0561","","","0.1206","0.1319","","","","","","0.927","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227145","9.0764","0.0014","16.0794","0.0016","13.913","0.003","90","","106.7","0.02","90","","1944.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O4 Zn -","- C23 H15 N3 O4 Zn -","- C92 H60 N12 O16 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1595","0.0684","","","0.0781","0.1034","","","","","","1.003","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227146","10.0211","0.0005","11.6063","0.0008","18.7216","0.0011","90","","90","","90","","2177.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N3 O5 Zn -","- C25 H17 N3 O5 Zn -","- C100 H68 N12 O20 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0641","0.0464","","","0.0646","0.0745","","","","","","1.074","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227147","10.1184","0.0004","11.542","0.0004","18.8913","0.0009","90","","90","","90","","2206.25","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C100 H68 Mn4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0676","0.0471","","","0.0725","0.082","","","","","","1.013","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227148","10.0257","0.0003","11.6347","0.0006","18.6389","0.0005","90","","90","","90","","2174.15","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0637","0.0522","","","0.1218","0.1327","","","","","","1.137","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227149","10.9405","0.0007","21.724","0.0017","23.897","0.0011","90","","91.988","0.005","90","","5676.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Cd3 N7 O16 -","- C63 H37 Cd3 N7 O16 -","- C252 H148 Cd12 N28 O64 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1722","0.0916","","","0.2109","0.2717","","","","","","1.023","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227152","13.3655","0.0009","17.7584","0.0011","21.054","0.0014","106.656","0.001","92.95","0.001","110.785","0.001","4410","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H82 Cl N16 O42 V16 Zn3.5 -","- C51 H70 Cl N16 O42 V16 Zn3.5 -","- C102 H140 Cl2 N32 O84 V32 Zn7 -","2","1","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0989","0.0604","","","0.1546","0.1761","","","","","","1.051","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227153","14.989","0.002","14.989","0.002","28.467","0.006","90","","90","","120","","5538.8","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H106 Cl N36 Ni3 O53 V15 -","- C54 H72 Cl N36 Ni3 O53.0001 V15 -","- C108 H144 Cl2 N72 Ni6 O106 V30 -","2","0.166667","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0815","0.0625","","","0.1776","0.1928","","","","","","1.088","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227154","22.904","0.003","13.0032","0.0012","25.754","0.002","90","","95.05","0.002","90","","7640.4","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 N12 O34 V10 Zn2 -","- C60 H48 N12 O34 V10 Zn2 -","- C240 H192 N48 O136 V40 Zn8 -","4","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0874","0.0491","","","0.1182","0.1363","","","","","","1.044","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227155","12.18","0.0007","13.5592","0.0008","13.8287","0.0007","85.204","0.004","65.431","0.005","75.508","0.005","2010.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","1","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0649","0.0518","","","0.1557","0.1682","","","","","","1.021","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227173","11.2871","0.0003","11.6719","0.0004","25.6378","0.0006","82.855","0.002","79.874","0.002","63.094","0.003","2961.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Y Zn -","- C24 H33 N4 O12 Y Zn -","- C96 H132 N16 O48 Y4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0393","0.0341","","","0.0861","0.0905","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227174","11.3119","0.0004","11.6798","0.0006","25.6158","0.001","82.889","0.004","79.959","0.003","62.936","0.004","2963.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Dy N4 O12 Zn -","- C24 H33 Dy N4 O12 Zn -","- C96 H132 Dy4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0373","0.0338","","","0.0825","0.0851","","","","","","1.031","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227175","11.278","0.0004","11.665","0.0005","25.6084","0.0008","82.789","0.003","79.834","0.003","63.148","0.004","2954.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Er N4 O12 Zn -","- C24 H33 Er N4 O12 Zn -","- C96 H132 Er4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","0.71073","MoKα","","0.0313","0.0262","","","0.0536","0.056","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227176","11.1639","0.0004","11.7254","0.0005","25.6988","0.0008","83.027","0.003","79.709","0.003","62.765","0.004","2939.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Tm Zn -","- C24 H33 N4 O12 Tm Zn -","- C96 H132 N16 O48 Tm4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.036","0.0339","","","0.085","0.0865","","","","","","1.074","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227179","18.5413","0.0003","3.77083","0.00007","18.5858","0.0003","90","","93.6727","0.0017","90","","1296.78","0.04","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0614","0.0505","","","0.1313","0.1382","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227180","7.49441","0.0001","11.0643","0.00014","13.8036","0.00015","90","","92.9142","0.0011","90","","1143.12","0.02","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0549","0.0426","","","0.12","0.1312","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227181","35.2832","0.0009","35.2832","0.0009","5.20165","0.00013","90","","90","","120","","5608","0.2","183","2","183","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H12.33 N2 O1.17 -","- C15 H12 N2 O1.1667 -","- C270 H216 N36 O21.0006 -","18","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","1.54184","CuKα","","0.0506","0.0474","","","0.1566","0.1608","","","","","","1.09","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227182","12.732","0.0002","14.2382","0.0002","21.2459","0.0005","81.567","0.001","73.329","0.001","80.109","0.001","3615.35","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H59 Cl3 Cu3 N12 O20 -","- C67 H55 Cl3 Cu3 N12 O20 -","- C134 H110 Cl6 Cu6 N24 O40 -","2","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.71073","MoKα","","0.1179","0.0626","","","0.1619","0.1934","","","","","","1.016","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227183","13.1193","0.0005","14.2591","0.0006","14.4095","0.0005","60.4","0.004","86.909","0.003","83.559","0.003","2328.99","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0498","0.0446","","","0.1203","0.1254","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227184","8.3536","0.0003","10.032","0.0004","10.2798","0.0004","87.419","0.004","86.088","0.003","78.661","0.004","842.26","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0266","0.0257","","","0.0655","0.0662","","","","","","1.044","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227185","17.3178","0.0007","19.003","0.0003","25.7513","0.001","90","","136.335","0.007","90","","5851.1","0.8","150","0.2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cl2 Cu4 N8 O23 -","- C54 H52 Cl2 Cu4 N8 O23 -","- C216 H208 Cl8 Cu16 N32 O92 -","4","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0372","0.0326","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227186","22.535","0.003","22.535","0.003","29.635","0.006","90","","90","","120","","13033","4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C141 H167 Cu9 N21 O55 -","- C141 H135 Cu9 N21 O55 -","- C423 H405 Cu27 N63 O165 -","3","0.333333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.7293","","","0.0668","0.0654","","","0.1803","0.1829","","","","","","1.059","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227187","23.6201","0.0004","23.6201","0.0004","13.6105","0.0003","90","","90","","120","","6576.1","0.2","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C172 H304 Cu12 N48 O150 -","- C172 H124 Cu12 N36 O48 -","- C172 H124 Cu12 N36 O48 -","1","0.0833333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0361","0.034","","","0.0938","0.0958","","","","","","1.088","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227190","6.87","0.0018","8.309","0.002","22.23","0.006","90","","90","","90","","1269","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","phellandrene anhydride","5-methyl-8-(propan-2-yl)hexahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0568","0.0453","","","0.1109","0.1179","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227191","6.9562","0.0018","8.559","0.002","21.752","0.006","90","","90","","90","","1295.1","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-methyl-8-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0688","0.0496","","","0.1315","0.1413","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227192","6.53","0.0015","10.411","0.002","12.121","0.003","90","","97.062","0.004","90","","817.8","0.3","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0535","0.0466","","","0.118","0.1233","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227193","14.472","0.003","8.153","0.0017","14.494","0.003","90","","91.73","0.004","90","","1709.4","0.6","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bicyclo[2.2.2]octane-2-endo,3-endo-dicarboxylic acid anhydride","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0697","0.0506","","","0.1247","0.1359","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227194","13.453","0.003","5.8751","0.0012","17.417","0.004","90","","101.5","0.03","90","","1349","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0657","0.0569","","","0.1231","0.1279","","","","","","1.107","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227195","13.622","0.003","5.926","0.0012","17.379","0.004","90","","101","0.03","90","","1377.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0553","0.0389","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227196","13.287","0.003","5.9132","0.0012","18.536","0.004","90","","99.09","0.03","90","","1438.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0597","0.0477","","","0.1109","0.1173","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227197","13.505","0.003","5.9344","0.0012","18.587","0.004","90","","97.49","0.03","90","","1476.9","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0768","0.0686","","","0.154","0.163","","","","","","1.174","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227198","6.434","0.0013","13.594","0.003","18.649","0.004","72.12","0.03","84.92","0.03","84.41","0.03","1542","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0807","0.0566","","","0.1236","0.1355","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227199","6.4576","0.0013","13.713","0.003","18.624","0.004","72.03","0.03","84.97","0.03","84.93","0.03","1559.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.069","0.0452","","","0.1222","0.1357","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227200","12.8199","0.0009","12.8199","0.0009","32.617","0.004","90","","90","","90","","5360.6","0.8","293","2","293","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C54 H52 B2 Cu F7.97 N4 O4 -","- C54 H52 B2 Cu F7.931 N4 O4 -","- C216 H208 B8 Cu4 F31.724 N16 O16 -","4","0.25","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","x-ray","1.54184","CuKα","","0.1507","0.1033","","","0.2671","0.3199","","","","","","1.086","","","","has coordinates,has disorder","191576","2020-10-21","18:00:00",""
"7227201","11.645","0.005","11.645","0.005","52.7","0.005","90","0.005","90","0.005","90","0.005","7146","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C29 H16 F12 Mn N2 O4 -","- C29 H16 F12 Mn N2 O4 -","- C232 H128 F96 Mn8 N16 O32 -","8","","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","","0.71069","MoKα","","0.1674","0.0604","","","0.1342","0.1807","","","","","","0.885","","","","has coordinates","191576","2020-10-21","18:00:00",""
"7227202","23.729","0.003","24.75","0.003","16.918","0.002","90","","119.249","0.002","90","","8669","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Mo12 N12 O61 Sb2 -","- C30 H44 Mo12 N12 O61 Sb2 -","- C120 H176 Mo48 N48 O244 Sb8 -","4","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.042","0.0356","","","0.1018","0.1056","","","","","","1.049","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227203","11.2428","0.0007","13.9571","0.0009","19.478","0.0013","105.855","0.001","103.033","0.001","103.153","0.001","2724.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H96 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","1","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0777","0.0562","","","0.166","0.1804","","","","","","1.077","","","","has coordinates,has disorder","191548","2020-10-21","18:00:00",""
"7227204","36.2075","0.0012","36.2075","0.0012","36.2075","0.0012","90","","90","","90","","47467","3","296","2","296.15","","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C36 H124 Mo24 N24 O116 Sb4 -","- C36 H12 Mo24 O108 Sb4 -","- C288 H96 Mo192 O864 Sb32 -","8","","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0322","0.0273","","","0.0839","0.0875","","","","","","1.042","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227205","10.3655","0.001","11.8975","0.0012","18.6068","0.0018","76.136","0.002","80.465","0.002","84.056","0.002","2192.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H39 Mo6 N6 O30 Sb -","- C12 H9 Mo6 N6 O34 Sb -","- C24 H18 Mo12 N12 O68 Sb2 -","2","1","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0536","0.0449","","","0.1226","0.1274","","","","","","1.045","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227206","9.3202","0.001","10.5724","0.0012","14.7777","0.0016","88.561","0.002","85.685","0.002","81.729","0.002","1436.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form II","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0865","0.0611","","","0.1497","0.1644","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227207","10.6675","0.0014","11.6121","0.0015","13.0639","0.0017","72.725","0.002","74.29","0.002","65.743","0.002","1388.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form I","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0788","0.0656","","","0.1671","0.1777","","","","","","1.112","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227216","4.7532","0.0001","8.1538","0.0002","10.0237","0.0002","113.997","0.001","91.275","0.001","90.003","0.001","354.801","0.014","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","1","1","","Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T.","Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene","CrystEngComm","2017","19","2","346","","10.1039/C6CE02229D","","","0.71073","MoKα","","0.0553","0.0493","","","0.1342","0.1569","","","","","","1.109","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227217","7.2247","0.0005","10.4855","0.0009","10.8336","0.0009","64.61","0.002","85.799","0.003","79.794","0.003","729.69","0.1","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0431","0.0403","","","0.1065","0.1081","","","","","","1.108","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227218","7.1809","0.0005","9.8084","0.0009","10.8511","0.0011","66.647","0.002","84.88","0.003","78.699","0.003","688.01","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0481","0.0446","","","0.1277","0.1317","","","","","","1.103","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227219","7.2808","0.0004","9.8586","0.0008","10.866","0.0008","66.382","0.002","85.05","0.003","78.872","0.003","701.14","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0487","0.0455","","","0.134","0.1375","","","","","","1.097","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227220","7.2244","0.0002","9.7489","0.0003","10.8919","0.0007","66.7372","0.001","85.5145","0.0013","79.0594","0.0012","691.94","0.05","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0429","0.0381","","","0.1082","0.1115","","","","","","1.058","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227221","7.2482","0.0002","10.268","0.0003","10.8587","0.0007","65.3729","0.001","85.6015","0.0012","79.458","0.0012","722.24","0.06","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0555","0.0546","","","0.1462","0.1478","","","","","","1.067","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227231","3.61996","0.00017","12.9546","0.0005","7.0224","0.0004","90","","94.632","0.003","90","","328.24","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C12 H16 N8 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0564","0.0505","","","0.1354","0.1434","","","","","","1.143","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227232","10.76606","0.00019","8.25767","0.00015","17.3938","0.0003","90","","90","","90","","1546.35","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C56 H96 N16 O8 -","4","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0498","0.0484","","","0.1185","0.1198","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227233","3.68405","0.00013","13.8967","0.0004","8.7734","0.0003","90","","101.475","0.002","90","","440.19","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N6 O4 -","- C6 H4 N6 O4 -","- C12 H8 N12 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0717","0.0658","","","0.1878","0.1943","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227234","7.5718","0.0003","8.46267","0.00018","8.7904","0.0002","102.057","0.0014","102.489","0.0018","101.212","0.0018","520.6","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","1","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0587","0.0496","","","0.1301","0.1469","","","","","","1.084","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227235","10.5475","","20.4313","","6.8444","","90","","109.458","","90","","1390.72","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N8 O8 -","- C32 H22 N8 O8 -","- C64 H44 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0669","0.0525","","","0.1322","0.1461","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227236","9.6805","0.0002","3.52584","0.00008","14.4065","0.0003","90","","106.805","0.0013","90","","470.722","0.018","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H4 N6 Na O4 -","- C6 H6 N6 Na O4 -","- C12 H12 N12 Na2 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0604","0.0577","","","0.1656","0.17","","","","","","1.085","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227237","6.46087","0.00012","5.62884","0.00012","9.37402","0.00017","90","","99.3001","0.0009","90","","336.426","0.011","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N6 O2 -","- C6 H2 N6 O2 -","- C12 H4 N12 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0457","0.0421","","","0.1079","0.1103","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227238","10.0971","","19.4344","","7.5505","","90","","90.629","","90","","1481.55","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H12 N8 O8 -","- C36 H12 N8 O8 -","- C72 H24 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0566","0.0521","","","0.1557","0.1605","","","","","","1.1","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227241","23.0687","0.0014","23.0687","0.0014","20.7587","0.0017","90","","90","","120","","9567","1.1","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H15 N3 O15 Zn3 -","- C24 H15 N3 O15 Zn3 -","- C144 H90 N18 O90 Zn18 -","6","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1378","0.1126","","","0.2952","0.3127","","","","","","1.007","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227242","38.569","0.009","38.569","0.009","28.647","0.009","90","","90","","120","","36905","17","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H20 N4 O20 Zn4 -","- C32 H20 N4 O20 Zn4 -","- C576 H360 N72 O360 Zn72 -","18","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1442","0.1307","","","0.4007","0.4265","","","","","","1.053","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227243","6.7854","0.0003","8.2932","0.0003","9.432","0.0003","97.567","0.002","107.241","0.002","97.513","0.002","494.35","0.03","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","1","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","","1.54178","CuKα","","0.1374","0.1271","","","0.3802","0.3883","","","","","","1.624","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227244","8.6573","0.0011","7.1501","0.001","18.754","0.003","90","","96.93","0.009","90","","1152.4","0.3","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C60 H24 F8 N8 -","2","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","x-ray","0.71073","MoKα","","0.0987","0.0399","","","0.0387","0.0433","","","","1.9","1.9","1.45","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227245","13.1253","0.0002","7.86257","0.00013","11.71964","0.00016","90","","90","","90","","1209.45","0.03","250","0.1","250","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0446","0.0407","","","0.1101","0.1135","","","","","","1.053","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227246","7.8089","0.00018","11.6361","0.0002","12.9991","0.0003","90.0033","0.0017","89.9908","0.0018","90.0086","0.0018","1181.17","0.04","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0246","0.0235","","","0.0577","0.0584","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227247","13.3063","0.0002","8.0603","0.0001","11.7787","0.0001","90","","90","","90","","1263.3","0.03","260","0.1","260","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0265","0.0249","","","0.0658","0.0668","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227248","7.99901","0.00016","11.6844","0.0003","13.2191","0.0002","89.9922","0.0016","90.0224","0.0016","90.0075","0.0017","1235.5","0.04","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0247","0.0239","","","0.0585","0.0591","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227249","7.8457","0.0002","11.6885","0.0002","13.0792","0.0003","90.0075","0.0018","89.998","0.002","90.0165","0.0019","1199.42","0.05","220","0.1","220","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0415","0.0368","","","0.0901","0.094","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227250","8.02169","0.00015","11.7137","0.0002","13.2529","0.0002","89.9946","0.0015","90.0068","0.0015","89.9829","0.0015","1245.29","0.04","200","0.1","200","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0212","0.0205","","","0.0547","0.0552","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227257","3.6632","0.0003","3.6632","0.0003","11.998","0.002","90","","90","","90","","161","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Gd O4 -","- Al Ca Gd O4 -","- Al2 Ca2 Gd2 O8 -","2","0.0625","","Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang","The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties","CrystEngComm","2017","19","3","537","","10.1039/C6CE02411D","","x-ray","0.71073","MoKα","","0.0287","0.0287","","","0.0745","0.0745","","","","1","1","1","","","","has coordinates","191561","2020-10-21","18:00:00",""
"7227258","9.307","0.0003","17.6267","0.0004","10.8072","0.0003","90","","113.592","0.004","90","","1624.75","0.09","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl4 N2 O4 Re -","- C12 H10 Cl4 N2 O4 Re -","- C48 H40 Cl16 N8 O16 Re4 -","4","0.5","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0849","0.0857","","","","","","1.032","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227259","9.8643","0.0002","9.9913","0.0002","12.1357","0.0002","93.364","0.0007","92.3297","0.0007","119.535","0.0006","1035.51","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N8 O4 Re -","- C14 H14 Cl4 N8 O4 Re -","- C28 H28 Cl8 N16 O8 Re2 -","2","1","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","","0.71073","MoKα","","0.0168","0.0167","","","0.0457","0.0458","","","","","","1.006","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227260","6.0614","0.0005","4.9572","0.0004","12.1601","0.001","90","","102.523","0.008","90","","356.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O -","- C7 H7 Br O -","- C14 H14 Br2 O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0623","0.048","","","0.1061","0.1165","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227261","6.044","0.002","4.9739","0.0012","12.231","0.005","90","","103.69","0.04","90","","357.2","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7.5 H8.5 Br0.5 O -","- C7.5 H8.5 Br0.5 O -","- C15 H17 Br O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.1333","0.0943","","","0.2196","0.2507","","","","","","1.141","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227262","5.9892","0.0006","4.9395","0.0005","12.0858","0.0012","90","","102.59","0.01","90","","348.94","0.06","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 Br0.5 Cl0.5 O -","- C7 H7 Br0.5 Cl0.5 O -","- C14 H14 Br Cl O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0698","0.0512","","","0.1062","0.1232","","","","","","1","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227263","13.7763","0.0012","16.0926","0.0012","17.8036","0.001","82.048","0.005","72.999","0.006","68.508","0.008","3509.9","0.5","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.71073","MoKα","","0.1262","0.0989","","0.1518","0.1254","0.1254","","","","","","1.1368","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227264","10.894","0.003","12.114","0.003","15.8","0.003","85.936","0.01","76.182","0.009","78.08","0.02","1980.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O30 Si8 -","- C77.4 H82.8 O29.35 Si8 -","- C77.4 H82.8 O29.35 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.8729","synchrotron","","0.0804","0.0586","","","0.1621","0.1825","","","","","","1.026","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227268","4.5613","0.0005","10.2296","0.0011","13.7303","0.0015","80.28","0.003","83.693","0.003","87.814","0.003","627.52","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0313","0.0242","","","0.0416","0.0428","","","","","","1.063","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227269","4.6564","0.0003","12.7812","0.0009","14.2764","0.0009","104.509","0.002","96.086","0.002","97.186","0.002","807.71","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.035","0.0247","","","0.0476","0.0506","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227270","4.5773","0.0003","36.882","0.003","21.7673","0.0014","90","","91.029","0.002","90","","3674.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F8 I4 N6 O3 S -","- C30 H24 F8 I4 N6 O3 S -","- C120 H96 F32 I16 N24 O12 S4 -","4","1","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0755","0.0454","","","0.0643","0.0698","","","","","","1.103","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227284","8.8117","0.0009","7.4263","0.0008","14.7072","0.0016","90","","90","","90","","962.41","0.18","213","1","213","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","1","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0312","0.031","","","0.0846","0.0848","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227285","9.572","0.005","8.414","0.005","11.973","0.006","90","","105.341","0.008","90","","929.9","0.9","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","0.5","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0954","0.0992","","","","","","1.241","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227286","7.2216","0.0007","22.988","0.002","17.6581","0.0019","90","","101.235","0.001","90","","2875.2","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C96 H96 I24 -","12","3","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0342","0.0279","","","0.0663","0.0707","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227287","8.107","0.003","16.238","0.005","14.621","0.005","90","","93.57","0.004","90","","1921","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C64 H64 I16 -","8","2","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.031","0.0267","","","0.0687","0.071","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227288","10.3425","0.0005","13.0194","0.0007","13.2226","0.0005","90","","90","","90","","1780.46","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0405","0.0337","","","0.0841","0.0889","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227289","14.0037","0.0003","18.865","0.0004","9.2913","0.0002","90","","109.592","0.001","90","","2312.46","0.09","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","0.5","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0525","0.0411","","","0.1044","0.1176","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227290","7.66","0.0005","14.3344","0.001","21.738","0.0015","87.427","0.003","83.718","0.003","75.715","0.003","2298.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0697","0.0429","","","0.1256","0.1592","","","","","","1.099","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227291","18.1949","0.0008","10.7188","0.0003","12.2321","0.0005","90","","95.895","0.002","90","","2372.98","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 N -","- C34 H23 N -","- C136 H92 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0595","0.0392","","","0.1055","0.141","","","","","","1.121","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227292","20.863","0.003","10.6106","0.0016","11.6041","0.0013","90","","93.835","0.005","90","","2563","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 N -","- C38 H25 N -","- C152 H100 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.1754","0.0566","","","0.1198","0.1877","","","","","","0.993","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227293","15.4053","0.0003","7.6463","0.0002","17.3621","0.0004","90","","100.301","0.001","90","","2012.18","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N -","- C28 H21 N -","- C112 H84 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0713","0.0472","","","0.1014","0.1266","","","","","","1.103","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227294","7.157","0.0014","12.806","0.003","7.856","0.0016","90","","90","","90","","720","0.3","153","2","153","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C6 H4 Mn N4 -","- C6 H4 Mn N4 -","- C24 H16 Mn4 N16 -","4","0.25","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0316","0.0249","","","0.0668","0.0699","","","","","","1.11","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227295","8.363","0.0017","12.827","0.003","12.987","0.003","78.01","0.03","77.5","0.03","71.85","0.03","1277.6","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.14 H20.28 Mn2 N8 O -","- C25.14 H19.85 Mn2 N8 O -","- C50.28 H39.7 Mn4 N16 O2 -","2","1","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0669","0.0536","","","0.1435","0.1549","","","","","","1.067","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227296","17.112","0.0015","16.287","0.0013","9.1823","0.0008","90","","107.089","0.009","90","","2446.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0451","0.0344","","","0.0809","0.0863","","","","","","1.028","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227297","17.1144","0.0014","16.2849","0.0012","9.1786","0.0007","90","","107.107","0.008","90","","2445","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0491","0.0369","","","0.086","0.0935","","","","","","1.019","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227298","19.1","0.007","22.96","0.008","24.338","0.009","90","","90","","90","","10673","7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Er Mn Mo9 N5 O49 -","- C12 H10 Er Mn Mo9 N5 O49 -","- C96 H80 Er8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0645","0.0395","","","0.0955","0.1032","","","","","","1.063","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227299","19.0464","0.0006","22.8077","0.0007","24.2799","0.0007","90","","90","","90","","10547.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Eu Mn Mo9 N5 O49 -","- C12 H10 Eu Mn Mo9 N5 O49 -","- C96 H80 Eu8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0464","0.0325","","","0.0863","0.0913","","","","","","1.082","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227300","10.4141","0.0004","12.6941","0.0005","19.1513","0.0009","72.893","0.001","82.037","0.001","89.305","0.001","2395.32","0.17","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0477","0.0364","","","0.0929","0.0984","","","","","","1.058","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227301","18.9813","0.0011","22.8264","0.0014","24.1927","0.0014","90","","90","","90","","10482.1","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Y -","- C12 H10 Mn Mo9 N5 O49 Y -","- C96 H80 Mn8 Mo72 N40 O392 Y8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0568","0.0364","","","0.0903","0.0964","","","","","","1.068","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227302","10.3698","0.0006","12.6471","0.0008","19.0794","0.0011","73.32","0.001","81.798","0.001","88.775","0.001","2371.9","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0643","0.0476","","","0.1254","0.134","","","","","","1.071","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227303","19.0677","0.0016","22.7335","0.0019","24.228","0.002","90","","90","","90","","10502.2","1.5","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tb -","- C12 H10 Mn Mo9 N5 O49 Tb -","- C96 H80 Mn8 Mo72 N40 O392 Tb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0303","","","0.0819","0.0863","","","","","","1.098","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227304","18.9956","0.0007","22.8143","0.0009","24.1926","0.001","90","","90","","90","","10484.4","0.7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tm -","- C12 H10 Mn Mo9 N5 O49 Tm -","- C96 H80 Mn8 Mo72 N40 O392 Tm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0312","","","0.088","0.0914","","","","","","1.057","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227305","18.9918","0.0008","22.8191","0.001","24.1887","0.0011","90","","90","","90","","10482.8","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Ho Mn Mo9 N5 O49 -","- C12 H10 Ho Mn Mo9 N5 O49 -","- C96 H80 Ho8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0681","0.0416","","","0.1069","0.1239","","","","","","1.088","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227306","10.431","0.0005","12.6785","0.0006","19.1442","0.0009","72.956","0.001","82.02","0.001","89.255","0.001","2396.1","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0422","0.0329","","","0.083","0.0871","","","","","","1.049","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227307","19.0792","0.0009","22.8325","0.001","24.331","0.0011","90","","90","","90","","10599.2","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Sm -","- C12 H10 Mn Mo9 N5 O49 Sm -","- C96 H80 Mn8 Mo72 N40 O392 Sm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0352","0.0274","","","0.0722","0.0757","","","","","","1.091","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227308","18.9941","0.0011","22.8037","0.0014","24.1386","0.0014","90","","90","","90","","10455.3","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Yb -","- C12 H10 Mn Mo9 N5 O49 Yb -","- C96 H80 Mn8 Mo72 N40 O392 Yb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0426","0.0325","","","0.0898","0.0939","","","","","","1.077","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227309","19.0411","0.0009","22.8346","0.0011","24.2724","0.0011","90","","90","","90","","10553.5","0.9","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Gd Mn Mo9 N5 O49 -","- C12 H10 Gd Mn Mo9 N5 O49 -","- C96 H80 Gd8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0554","0.0351","","","0.0819","0.0882","","","","","","1.04","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227310","19.0233","0.0006","22.7722","0.0007","24.1995","0.0007","90","","90","","90","","10483.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Dy Mn Mo9 N5 O49 -","- C12 H10 Dy Mn Mo9 N5 O49 -","- C96 H80 Dy8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0509","0.0351","","","0.1039","0.1159","","","","","","1.083","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227315","17.694","0.003","17.694","0.003","21.24","0.004","90","","90","","120","","5758.9","1.8","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Y2 -","- C72 H60 N24 O24 Y2 -","- C144 H120 N48 O48 Y4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.1401","0.1039","","","0.2891","0.3213","","","","","","1.009","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227316","17.786","0.003","17.786","0.003","21.419","0.004","90","","90","","120","","5867.9","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 Er2 N24 O24 -","- C72 H60 Er2 N24 O24 -","- C144 H120 Er4 N48 O48 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic–inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.067","0.0594","","","0.1996","0.2076","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227317","17.788","0.003","17.788","0.003","21.332","0.004","90","","90","","120","","5845.4","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Tb2 -","- C72 H60 N24 O24 Tb2 -","- C144 H120 N48 O48 Tb4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic–inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.0645","0.0605","","","0.1654","0.169","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227324","12.5159","0.001","19.1864","0.0014","9.9596","0.0008","90","","94.649","0.003","90","","2383.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly-[bis-μ~4~-(((adamantane-1,3-diyl)‒di-(phen-4-yl))-di-(carboxylato-κO:κO'))‒bis-N,N-dimethylformamide-κO-dimanganese(II)]","","- C27 H29 Mn N O5 -","- C27 H29 Mn N O5 -","- C108 H116 Mn4 N4 O20 -","4","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.0706","0.0409","","","0.0877","0.1005","","","","","","1.015","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227325","11.0682","0.0004","13.5036","0.0005","14.6691","0.0005","70.055","0.002","79.314","0.002","87.896","0.002","2024.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly-[dimethylammonium μ~6~-(((adamantane-1,3,5-triyl)- -tri(phen-4-yl))-tri-(carboxylato-κ^2^O,O'))- -(N,N-dimethylformamide-κO)-cadmium(II)],solvate with N,N-dimethylformamide and water","","- C36 H44 Cd N2 O9 -","- C37.5 H25 Cd N1.5 O8.5 -","- C75 H50 Cd2 N3 O17 -","2","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.091","0.0713","","","0.2032","0.2217","","","","","","1.073","","","","has coordinates,has disorder","191573","2020-10-21","18:00:00",""
"7227326","17.335","0.003","17.748","0.002","19.551","0.003","90","","90","","90","","6015.1","1.5","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","catena-[ bis(dimethylammonium) μ~8~-(((adamantane-1,3,5,7-tetrayl)‒tetra-(phen-4-yl))-tetracarboxylato)-manganese(II)]solvate with dimethylformamide and water","","- C38 H28 Mn O8 -","- C38 H28 Mn O8 -","- C152 H112 Mn4 O32 -","4","0.25","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.1334","0.0997","","","0.2883","0.3047","","","","","","0.944","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227331","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","Reversible water uptake by a porous molecular crystal from metal complex of gemini surfactant","CrystEngComm","2017","19","5","802","","10.1039/C6CE02197B","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","191572","2020-10-21","18:00:00",""
"7227332","18.6401","0.0005","18.6401","0.0005","39.748","0.0009","90","","90","","120","","11960.3","0.5","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","ZJU-12","","- C28 H18 Cu2 O12 -","- C28 H14 Cu2 O12 -","- C252 H126 Cu18 O108 -","9","0.25","","Duan, Xing; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A novel methoxy-decorated metal‒organic framework exhibiting high acetylene and carbon dioxide storage capacities","CrystEngComm","2017","19","11","1464","","10.1039/C6CE02291J","","","0.71073","MoKα","","0.05","0.0405","","","0.1199","0.1239","","","","","","1.171","","","","has coordinates","195039","2020-10-21","18:00:00",""
"7227343","12.7248","0.0003","9.5216","0.0002","18.8321","0.0005","90","","90","","90","","2281.71","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(isoquinolinecarboxamide)-1,6-hexane","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C104 H104 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0527","0.0471","","","0.1358","0.1432","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227344","7.5367","0.0003","8.3723","0.0003","19.4198","0.0007","88.709","0.003","82.328","0.003","89.464","0.003","1214.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4b","","- C23 H22 Ag Cl N4 O7 -","- C23 H22 Ag Cl N4 O7 -","- C46 H44 Ag2 Cl2 N8 O14 -","2","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0362","0.0346","","","0.0946","0.0966","","","","","","1.035","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227345","19.2319","0.0008","13.1155","0.0002","9.2503","0.0004","90","","128.558","0.006","90","","1824.56","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(1-isoquinolinecarboxamide)-1,2-ethane","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0467","0.045","","","0.1138","0.1156","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227346","8.2326","0.0001","12.4302","0.0002","9.8859","0.0002","90","","102.96","0.002","90","","985.88","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(isoquinolinecarboxamide)-1,4-buthane","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0366","0.0348","","","0.0992","0.1012","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227347","13.4447","0.0004","8.7623","0.0002","17.9862","0.0005","90","","90","","90","","2118.89","0.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(isoquinolinecarboxamide)-1,5-pentane","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0404","0.0371","","","0.104","0.1078","","","","","","1.074","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227348","9.2783","0.0003","11.1478","0.0004","13.0263","0.0006","100.674","0.003","101.046","0.004","91.916","0.003","1296.18","0.09","175","0.1","175","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","1","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0334","0.0297","","","0.07","0.0732","","","","","","1.038","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227349","7.7056","0.0002","14.8087","0.0003","21.2528","0.0006","90","","117.472","0.004","90","","2151.69","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ag Cl N4 O6 -","- C22 H18 Ag Cl N4 O6 -","- C88 H72 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0355","0.0276","","","0.067","0.071","","","","","","1.03","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227350","22.6498","0.0007","9.4681","0.0003","13.4041","0.0003","90","","92.921","0.003","90","","2870.78","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26 Ag Cl N4 O6 -","- C26 H26 Ag Cl N4 O6 -","- C104 H104 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0539","0.0522","","","0.1434","0.1468","","","","","","1.072","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227351","12.2945","0.0006","18.6277","0.0008","11.5504","0.0006","90","","90","","90","","2645.3","0.2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","1f","","- C27 H28 Ag Cl N4 O6 -","- C27 H28 Ag Cl N4 O6 -","- C108 H112 Ag4 Cl4 N16 O24 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0659","0.062","","","0.1788","0.1849","","","","","","1.08","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227362","9.6638","0.0017","6.6901","0.0011","24.67","0.004","90","","99.732","0.008","90","","1572","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethenzamide-24Dihydroxybenzoic acid","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0729","0.0449","","","0.136","0.1627","","","","","","1.044","","","","has coordinates,has disorder","191570","2020-10-21","18:00:00",""
"7227363","11.1756","0.0012","11.7633","0.0014","12.2009","0.0014","95.319","0.008","102.434","0.007","100.852","0.007","1523.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethenzamide-35Dihydroxybenzoicacid dihydrate","","- C30 H33 N O16 -","- C30 H31 N O16 -","- C60 H62 N2 O32 -","2","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1767","0.0682","","","0.1688","0.2191","","","","","","0.957","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227364","14.9229","0.0008","18.9781","0.0013","21.8605","0.0014","90","","90","","90","","6191.1","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Ethenzamide-35Dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C256 H272 N16 O96 -","16","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0802","0.0538","","","0.1428","0.1621","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227365","15.539","0.002","7.4265","0.001","31.796","0.004","90","","90","","90","","3669.3","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethenzamide Ferulic acid","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1115","0.0511","","","0.1342","0.1617","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227370","9.45444","0.00013","17.6795","0.0003","14.4839","0.0002","90","","93.4373","0.0013","90","","2416.63","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Glibenclamide","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide","","- C23 H28 Cl N3 O5 S -","- C23 H28 Cl N3 O5 S -","- C92 H112 Cl4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0553","0.0504","","","0.1387","0.1458","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227371","19.5991","0.0016","5.8086","0.0003","23.4722","0.0017","90","","108.746","0.008","90","","2530.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Glibenclamide-sodiumhydrate salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium-hydrate","","- C23 H27 Cl N3 Na O6 S -","- C23 H27 Cl N3 Na O6 S -","- C92 H108 Cl4 N12 Na4 O24 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.1202","0.0844","","","0.2244","0.275","","","","","","1.044","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227372","19.718","0.004","6.1475","0.0011","21.732","0.005","90","","109.25","0.02","90","","2487","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Glibenclamide-ammonium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-ammonium","","- C23 H31 Cl N4 O5 S -","- C23 H31 Cl N4 O5 S -","- C92 H124 Cl4 N16 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.2463","0.0644","","","0.0682","0.0919","","","","","","0.77","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227373","10.9425","0.001","10.1583","0.0007","11.5023","0.0011","90","","91.164","0.009","90","","1278.3","0.19","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C46 H54 Cl2 N6 Na2 O10 S2 -","2","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0867","0.0617","","","0.1366","0.1569","","","","","","1.069","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227374","19.819","0.004","6.2006","0.0009","21.636","0.005","90","","109.69","0.02","90","","2503.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamide-potassium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-potassium","","- C23 H27 Cl K N3 O5 S -","- C23 H27 Cl K N3 O5 S -","- C92 H108 Cl4 K4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1575","0.0832","","","0.2247","0.2568","","","","","","0.984","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227375","19.7594","0.0013","6.1759","0.0003","21.556","0.0015","90","","109.627","0.007","90","","2477.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C92 H108 Cl4 N12 Na4 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1174","0.0834","","","0.2207","0.2495","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227376","6.4396","0.0012","9.0583","0.0018","13.442","0.003","89.677","0.004","85.919","0.004","89.345","0.003","782","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0435","0.036","","","0.0789","0.0816","","","","","","1.07","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227377","6.4157","0.0009","9.0257","0.0013","13.4267","0.0019","89.703","0.003","85.968","0.003","89.342","0.002","775.51","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0427","0.0325","","","0.0667","0.0706","","","","","","1.022","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227378","6.4331","0.0006","9.0449","0.0008","13.4358","0.0012","89.788","0.002","85.905","0.002","89.405","0.002","779.74","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0367","0.0307","","","0.0714","0.0739","","","","","","1.045","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227379","6.3914","0.0005","8.9902","0.0007","13.4028","0.001","89.716","0.002","85.997","0.002","89.332","0.002","768.19","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0287","0.0248","","","0.0535","0.0549","","","","","","1.018","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227380","6.3769","0.0005","8.9671","0.0007","13.3816","0.001","89.736","0.001","85.988","0.001","89.368","0.001","763.26","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0254","0.021","","","0.0452","0.0467","","","","","","1.046","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227381","6.3612","0.0004","8.9542","0.0005","13.3901","0.0008","89.708","0.001","86.066","0.001","89.343","0.001","760.84","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0238","0.021","","","0.0459","0.0468","","","","","","1.029","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227382","6.5822","0.0004","8.0601","0.0005","13.0454","0.0008","102.873","0.001","91.157","0.001","101.766","0.001","658.97","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0271","0.0236","","","0.0506","0.0519","","","","","","1.056","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227383","6.5746","0.0005","8.0495","0.0006","13.0264","0.0009","102.932","0.001","91.116","0.001","101.825","0.001","656.1","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0266","0.0239","","","0.0617","0.0631","","","","","","0.996","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227384","6.5663","0.0004","8.0384","0.0005","13.0187","0.0008","102.924","0.001","91.179","0.001","101.852","0.001","653.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0236","0.02","","","0.0431","0.0443","","","","","","1.037","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227400","10.5437","0.0003","10.6658","0.0004","11.1228","0.0004","86.656","0.003","71.241","0.003","82.672","0.003","1174.52","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N3 O5 P -","- C24 H30 N3 O5 P -","- C48 H60 N6 O10 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0833","0.0751","","","0.1925","0.2047","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227401","8.9355","0.0003","9.377","0.0003","9.3907","0.0002","93.415","0.002","92.982","0.002","103.905","0.003","760.63","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O6 P -","- C13 H20 N O6 P -","- C26 H40 N2 O12 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0332","0.0318","","","0.087","0.0882","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227402","14.0712","0.0003","7.6213","0.0002","15.6474","0.0004","90","","109.97","0.002","90","","1577.14","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N O7 P -","- C13 H22 N O7 P -","- C52 H88 N4 O28 P4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","1.54184","CuKα","","0.04","0.037","","","0.0985","0.1006","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227403","10.145","0.003","10.145","0.003","31.351","0.011","90","","90","","90","","3226.7","1.8","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0613","0.0548","","","0.1045","0.1077","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227404","13.2233","0.0004","13.8858","0.0006","14.518","0.0009","84.034","0.004","80.465","0.004","80.694","0.003","2586.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H63 F3 N3 O16 P3 S -","- C37 H63 F3 N3 O16 P3 S -","- C74 H126 F6 N6 O32 P6 S2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0719","0.0554","","","0.1399","0.1515","","","","","","1.017","","","","has coordinates,has disorder","301865","2025-08-22","16:17:11",""
"7227405","18.824","0.011","34.1","0.02","16.321","0.011","90","","91.078","0.011","90","","10475","11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 N3 O13 P3 -","- C36 H62 N3 O13 P3 -","- C288 H496 N24 O104 P24 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.1222","0.0912","","","0.2416","0.271","","","","","","1.1","","","","has coordinates,has disorder","301865","2025-08-22","16:17:11",""
"7227406","8.163","0.0008","21.2184","0.0019","11.3124","0.001","90","","102.267","0.009","90","","1914.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O5 P S -","- C15 H28 N O5 P S -","- C60 H112 N4 O20 P4 S4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.1457","0.0881","","","0.1893","0.2271","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227407","11.778","0.003","14.601","0.004","16.488","0.004","90","","103.452","0.004","90","","2757.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N O4.5 P -","- C12 H21 N O4.5 P -","- C96 H168 N8 O36 P8 -","8","2","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0361","0.0323","","","0.0811","0.0837","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227408","8.455","0.0017","13.485","0.003","14.017","0.003","115.54","0.03","95.02","0.03","94.99","0.03","1422.6","0.7","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0429","0.0325","","","0.0755","0.0804","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227409","8.874","0.0018","9.5171","0.0018","11.986","0.002","84.921","0.003","85.114","0.004","74.714","0.004","970.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.1381","0.0845","","","0.2257","0.3312","","","","","","1.171","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227410","38.142","0.008","11.411","0.002","29.647","0.006","90","","129.94","0.03","90","","9893","5","153.15","","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N6 O21 S Zn4 -","- C42 H44 N6 O21 S Zn4 -","- C336 H352 N48 O168 S8 Zn32 -","8","1","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0931","0.073","","","0.2008","0.2215","","","","","","1.061","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227411","7.82","0.004","18.768","0.009","25.836","0.012","80.419","0.016","82.135","0.019","83.58","0.03","3688","3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0961","0.0588","","","0.1467","0.164","","","","","","1.0362","","","","has coordinates,has disorder","193771","2020-10-21","18:00:00",""
"7227412","26.047","0.0011","26.047","0.0011","41.751","0.002","90","","90","","120","","24530.9","1.9","150","2","150","","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C864 H648 Ag36 B30 F120 N144 O36 S72 -","6","","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0983","0.0547","","","0.1432","0.1697","","","","","","1.0586","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227413","7.5797","0.0002","10.6965","0.0003","17.3538","0.0005","103.551","0.001","101.676","0.001","90.482","0.001","1337.2","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0705","0.0492","","","0.1297","0.1424","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227436","13.4938","0.0004","8.7231","0.0003","22.5819","0.0006","90","","95.3654","0.0011","90","","2646.42","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Mn N5 O7 -","- C27 H26 Mn N5 O7 -","- C108 H104 Mn4 N20 O28 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0383","0.0312","","","0.0805","0.0846","","","","","","1.052","","","","has coordinates,has disorder","193759","2020-10-21","18:00:00",""
"7227437","7.4909","0.0002","11.8073","0.0004","24.3162","0.0008","90","","90","","90","","2150.7","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H18 Mn N8 O8 -","- C14 H18 Mn N8 O8 -","- C56 H72 Mn4 N32 O32 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0452","0.0421","","","0.1113","0.1133","","","","","","1.097","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227438","9.1567","0.0004","10.545","0.0005","14.0966","0.0006","90","","97.5786","0.0007","90","","1349.24","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag2 Mn N12 -","- C24 H16 Ag2 Mn N12 -","- C48 H32 Ag4 Mn2 N24 -","2","0.5","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0145","0.0135","","","0.034","0.0344","","","","","","1.058","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227451","5.4625","0.0004","6.5901","0.0006","29.293","0.003","90","","90.889","0.006","90","","1054.37","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co3 O10 P2 -","- C18 H20 Co3 O10 P2 -","- C36 H40 Co6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.0604","0.0414","","","0.083","0.0897","","","","","","1.04","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227452","5.6315","0.0004","6.7154","0.0005","29.169","0.003","90","","91.174","0.006","90","","1102.88","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Mn3 O10 P2 -","- C18 H20 Mn3 O10 P2 -","- C36 H40 Mn6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.1072","0.0885","","","0.1932","0.2018","","","","","","1.083","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227476","16.8878","0.0011","13.8408","0.0013","14.4153","0.0013","90","","109.557","0.002","90","","3175.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H49 B2 Cl3 F4 N10 O4 -","- C73 H49 B2 Cl3 F4 N10 O4 -","- C146 H98 B4 Cl6 F8 N20 O8 -","2","0.5","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1405","0.0761","","","0.1762","0.2059","","","","","","1.039","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227477","14.4266","0.0005","16.319","0.0006","27.6414","0.0011","90","","90","","90","","6507.6","0.4","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C148 H104 Ag2 B6 F16 N20 O9 -","- C148 H96 Ag2 B6 F16 N20 O9 -","- C296 H192 Ag4 B12 F32 N40 O18 -","2","0.25","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1281","0.0635","","","0.1782","0.2147","","","","","","1.054","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227478","9.1444","0.0008","12.27","0.0008","13.4648","0.001","110.287","0.002","95.118","0.003","90.687","0.003","1409.92","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N5 O2 -","- C36 H25 N5 O2 -","- C72 H50 N10 O4 -","2","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1637","0.077","","","0.1371","0.1643","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227479","29.311","0.0013","15.3218","0.0005","18.7508","0.0007","90","","110.666","0.003","90","","7879.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag B2 F6 N5 O2 -","- C36 H24 Ag B2 F6 N5 O2 -","- C288 H192 Ag8 B16 F48 N40 O16 -","8","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.0843","0.0532","","","0.16","0.1822","","","","","","1.042","","","","has coordinates,has disorder","193757","2020-10-21","18:00:00",""
"7227480","16.9698","0.0008","12.9677","0.0007","13.8541","0.0008","90","","108.953","0.002","90","","2883.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B F2 N5 O2 -","- C36 H24 B F2 N5 O2 -","- C144 H96 B4 F8 N20 O8 -","4","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1289","0.0642","","","0.1339","0.1576","","","","","","1.032","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227486","9.5976","0.0005","11.9814","0.0009","21.8713","0.0011","90","","100.945","0.004","90","","2469.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl3 Cu K O9 -","- C16 H34 Cl3 Cu K O9 -","- C64 H136 Cl12 Cu4 K4 O36 -","4","1","","van Well, Natalija; Bolte, Michael; Delley, Bernard; Wolf, Bernd; Lang, Michael; Schefer, Jürg; Rüegg, Christian; Assmus, Wolf; Krellner, Cornelius","Interplay between structure and magnetism in the low-dimensional spin system: K(C8H16O4)2CuCl3·H2O","CrystEngComm","2017","19","7","1028","","10.1039/C6CE02331B","","","0.71073","MoKα","","0.0575","0.0515","","","0.1245","0.1282","","","","","","1.061","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7227487","49.6795","0.0009","49.6795","0.0009","23.7404","0.0008","90","","90","","120","","50743","2","173","2","173","","","","","","","","","7","R -3","-R 3","148","","","","- C24 H45 N12 Ni2 O42 Si W11 -","- C24 H37 N12 Ni2 O40 Si W11 -","- C432 H666 N216 Ni36 O720 Si18 W198 -","18","","","Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min","A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid","CrystEngComm","2017","19","13","1721","","10.1039/C6CE02420C","","","0.71073","MoKα","","0.0531","0.0379","","","0.1015","0.1077","","","","","","1.116","","","","has coordinates,has disorder","195022","2020-10-21","18:00:00",""
"7227513","11.9096","0.001","5.5828","0.0004","17.2361","0.0015","90","","102.291","0.009","90","","1119.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinic acid : Nicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0886","0.0704","","","0.1707","0.179","","","","","","1.138","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227514","6.9822","0.0004","7.1747","0.0005","12.7208","0.0009","76.298","0.006","83.08","0.005","69.036","0.006","577.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Picolinic acid : Isonicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0718","0.0499","","","0.1145","0.1295","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227515","26.886","0.003","10.6027","0.0018","16.7359","0.0018","90","","119.293","0.002","90","","4160.8","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","S3","","","- C24 H23 N3 O S -","- C24 H23 N3 O S -","- C192 H184 N24 O8 S8 -","8","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.053","0.0396","","","0.1093","0.1184","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227516","6.5","0.007","26.53","0.03","12.8","0.013","90","","104.287","0.014","90","","2139","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","22","","- C24 H22 B F2 N3 O S -","- C24 H22 B F2 N3 O S -","- C96 H88 B4 F8 N12 O4 S4 -","4","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.1108","0.0766","","","0.2161","0.2566","","","","","","0.977","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227517","6.025","0.018","6.025","0.018","26.95","0.08","90","","90","","90","","978","5","173","","173","","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C24 H16 Co4 N24 O16 -","4","","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1173","0.0977","","","0.2787","0.2973","","","","","","1.205","","","","has coordinates","195019","2020-10-21","18:00:00",""
"7227518","8.462","0.008","14.549","0.015","18.799","0.018","90","","90","","90","","2314","4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C48 H32 N48 O32 Zn8 -","8","1","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1007","0.0942","","","0.1976","0.2008","","","","","","1.376","","","","has coordinates,has disorder","195019","2020-10-21","18:00:00",""
"7227533","9.8803","0.0002","24.2747","0.0005","10.4047","0.0002","90","","114.042","0.001","90","","2278.99","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N8 O7 S2 Zn -","- C12 H26 N8 O7 S2 Zn -","- C48 H104 N32 O28 S8 Zn4 -","4","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0413","0.0306","","","0.0841","0.0966","","","","","","1.098","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227534","14.7144","0.0006","7.0324","0.0003","21.4403","0.0008","90","","90","","90","","2218.59","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N6 Ni O S3 -","- C14 H19 N6 Ni O S3 -","- C56 H76 N24 Ni4 O4 S12 -","4","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0943","0.0484","","","0.1373","0.1795","","","","","","1.094","","","","has coordinates,has disorder","193764","2020-10-21","18:00:00",""
"7227535","8.6284","0.0004","10.0416","0.0004","11.2867","0.0005","74.662","0.002","69.52","0.002","89.89","0.002","879.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","1","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0372","0.0342","","","0.0954","0.0989","","","","","","1.049","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227536","9.0012","0.0004","11.2753","0.0004","12.1281","0.0005","94.572","0.002","105.603","0.002","112.913","0.002","1068.14","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Cu N7 O S2 -","- C15 H29 Cu N7 O S2 -","- C30 H58 Cu2 N14 O2 S4 -","2","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0415","0.0308","","","0.0806","0.0966","","","","","","1.146","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227537","9.8527","0.0003","14.1937","0.0004","15.1185","0.0004","113.748","0.001","103.82","0.001","97.895","0.001","1813.18","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu N6 S2 -","- C12 H22 Cu N6 S2 -","- C48 H88 Cu4 N24 S8 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0625","0.0356","","","0.1001","0.1255","","","","","","1","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227538","8.8078","0.0017","15.696","0.003","16.873","0.004","82.42","0.011","88.292","0.01","79.428","0.01","2273","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H29 N7 O4 S2 Zn -","- C14 H29 N7 O4 S2 Zn -","- C56 H116 N28 O16 S8 Zn4 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0747","0.0518","","","0.1488","0.1769","","","","","","1.051","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227558","14.2221","0.0006","25.5903","0.001","10.381","0.0004","90","","93.552","0.0011","90","","3770.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 I6 La2 N6 O14 -","- C72 H50 I6 La2 N6 O14 -","- C144 H100 I12 La4 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.076","0.0471","","","0.116","0.1332","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227559","11.1864","0.0009","12.786","0.0007","14.4367","0.0008","68.885","0.001","88.375","0.003","72.644","0.002","1831.3","0.2","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0446","0.0363","","","0.0973","0.1033","","","","","","1.038","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227560","11.198","0.005","13.03","0.005","14.604","0.005","69.314","0.004","89.085","0.003","72.956","0.005","1896.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0345","0.0264","","","0.0597","0.0637","","","","","","1.036","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227561","14.247","0.0011","25.523","0.002","10.3649","0.0008","90","","93.3","0.0009","90","","3762.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C144 H100 Ce4 I12 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0731","0.0441","","","0.0999","0.1151","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227562","10.0196","0.0004","10.467","0.0004","15.3792","0.0006","85.225","0.001","75.107","0.002","75.17","0.001","1506.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0529","0.0395","","","0.0829","0.0886","","","","","","1.061","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227563","11.1925","0.0005","12.7725","0.0005","14.436","0.0006","68.862","0.002","88.312","0.001","72.624","0.001","1829.91","0.14","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0654","0.0449","","","0.0996","0.1092","","","","","","1.041","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227564","11.194","0.003","12.797","0.004","14.456","0.004","68.894","0.003","88.362","0.004","72.638","0.004","1836.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.062","0.0417","","","0.0984","0.1096","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227565","11.1808","0.0005","12.8254","0.0005","14.4618","0.0006","68.892","0.001","88.445","0.0011","72.691","0.0009","1839.57","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0711","0.0488","","","0.1372","0.1508","","","","","","1.048","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227566","11.2147","0.0005","12.8161","0.0006","14.4733","0.0007","68.947","0.002","88.417","0.001","72.681","0.001","1845.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.054","0.0369","","","0.0763","0.0842","","","","","","1.031","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227567","9.9471","0.0003","10.5094","0.0004","15.3693","0.0005","85.325","0.001","75.351","0.002","74.913","0.001","1500.66","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0728","0.0758","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227568","8.79","0.0013","13.516","0.002","15.488","0.002","103.43","0.003","91.225","0.002","93.761","0.002","1784.6","0.4","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 Lu N3 O7 -","- C36 H25 I3 Lu N3 O7 -","- C72 H50 I6 Lu2 N6 O14 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0318","0.0273","","","0.0611","0.0631","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227569","8.7843","0.0005","13.5206","0.0007","15.4808","0.0008","103.471","0.001","91.197","0.0011","93.745","0.0012","1783","0.17","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Yb -","- C36 H25 I3 N3 O7 Yb -","- C72 H50 I6 N6 O14 Yb2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0404","0.0305","","","0.0731","0.0785","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227570","11.2083","0.0004","12.8703","0.0005","14.5009","0.0006","69.063","0.002","88.615","0.001","72.74","0.001","1857.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0588","0.04","","","0.0786","0.0867","","","","","","1.037","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227571","11.1954","0.0007","12.8463","0.0008","14.4794","0.0008","69.023","0.001","88.579","0.002","72.752","0.001","1849.22","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0581","0.0407","","","0.0849","0.093","","","","","","1.034","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227572","11.2063","0.0003","12.9586","0.0004","14.5704","0.0004","69.231","0.0011","88.87","0.002","72.899","0.001","1882.44","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0364","0.0313","","","0.0751","0.0788","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227573","11.2048","0.0004","12.9132","0.0005","14.5273","0.0006","69.134","0.001","88.722","0.001","72.806","0.002","1868.2","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.05","0.0366","","","0.0758","0.0822","","","","","","0.977","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227574","11.2063","0.0003","12.7987","0.0004","14.4542","0.0004","68.914","0.001","88.394","0.002","72.64","0.001","1838.85","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.048","0.0359","","","0.0782","0.0837","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227575","11.152","0.0003","12.9748","0.0004","14.5744","0.0004","69.246","0.001","88.95","0.002","73.066","0.001","1877.98","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0498","0.0379","","","0.0917","0.0986","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227576","8.7799","0.0004","13.563","0.0006","15.5082","0.0007","103.533","0.002","91.262","0.001","93.551","0.001","1790.75","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Y -","- C36 H25 I3 N3 O7 Y -","- C72 H50 I6 N6 O14 Y2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0417","0.0283","","","0.0557","0.0597","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227577","11.1901","0.0006","12.8834","0.0006","14.507","0.0007","69.119","0.002","88.699","0.001","72.84","0.001","1859.1","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0397","0.0351","","","0.0939","0.0984","","","","","","1.033","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227578","11.1784","0.0004","12.8338","0.0005","14.4641","0.0006","68.995","0.002","88.543","0.001","72.722","0.001","1842.08","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0515","0.0408","","","0.1105","0.1182","","","","","","1.028","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227579","9.9154","0.0005","10.4003","0.0005","15.0369","0.0008","85.103","0.001","74.836","0.001","74.496","0.001","1442","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0478","0.0341","","","0.0638","0.0697","","","","","","1.025","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227580","10.0352","0.0004","10.3574","0.0004","15.0822","0.0006","84.858","0.0009","74.15","0.001","75.009","0.0011","1456.39","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","","0.71073","MoKα","","0.0589","0.04","","","0.079","0.0858","","","","","","1.021","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227581","8.683","0.0013","13.052","0.0019","15.223","0.002","102.793","0.002","93.301","0.002","92.394","0.002","1677","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Yb -","- C36 H25 Br3 N3 O7 Yb -","- C72 H50 Br6 N6 O14 Yb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0289","0.0229","","","0.0508","0.0527","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227582","8.7587","0.0003","13.2478","0.0005","15.3694","0.0006","103.332","0.001","92.802","0.001","92.495","0.0011","1730.47","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tb -","- C36 H25 Br3 N3 O7 Tb -","- C72 H50 Br6 N6 O14 Tb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.048","0.0323","","","0.0646","0.0694","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227583","8.7712","0.0002","13.1735","0.0004","15.3367","0.0004","103.2","0.011","92.67","0.01","92.75","0.01","1720.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tm -","- C36 H25 Br3 N3 O7 Tm -","- C72 H50 Br6 N6 O14 Tm2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0337","0.026","","","0.0633","0.068","","","","","","0.83","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227584","9.9679","0.0004","10.3797","0.0004","15.0584","0.0005","84.989","0.001","74.48","0.001","74.774","0.001","1448.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0509","0.0369","","","0.0728","0.0776","","","","","","1.045","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227585","8.7754","0.0007","13.2024","0.0011","15.3521","0.0013","103.207","0.001","92.728","0.0009","92.688","0.001","1726.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Er N3 O7 -","- C36 H25 Br3 Er N3 O7 -","- C72 H50 Br6 Er2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.06","0.0411","","","0.0934","0.1017","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227586","8.7376","0.0015","13.163","0.002","15.296","0.003","103.274","0.002","92.763","0.002","92.604","0.002","1707.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Ho N3 O7 -","- C36 H25 Br3 Ho N3 O7 -","- C72 H50 Br6 Ho2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0506","","","0.1016","0.1201","","","","","","0.919","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227587","10.974","0.002","12.601","0.002","14.083","0.003","69.087","0.003","88.723","0.003","74.262","0.003","1744.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0621","0.0387","","","0.0769","0.0859","","","","","","0.937","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227588","8.7618","0.0006","13.223","0.0009","15.3537","0.0011","103.268","0.001","92.804","0.0008","92.564","0.001","1726.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Dy N3 O7 -","- C36 H25 Br3 Dy N3 O7 -","- C72 H50 Br6 Dy2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0874","0.0441","","","0.0737","0.0858","","","","","","0.981","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227589","8.7767","0.0004","13.1502","0.0006","15.3202","0.0007","103.146","0.001","92.657","0.001","92.845","0.0011","1716.7","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Lu N3 O7 -","- C36 H25 Br3 Lu N3 O7 -","- C72 H50 Br6 Lu2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0637","0.0389","","","0.0755","0.0848","","","","","","0.949","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227590","13.8199","0.001","25.3181","0.0018","9.9662","0.0007","90","","91.308","0.001","90","","3486.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 Nd2 O14 -","- C72 H50 Br6 N6 Nd2 O14 -","- C144 H100 Br12 N12 Nd4 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0517","0.0321","","","0.062","0.0677","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227591","13.8325","0.0005","25.4757","0.0008","10.2555","0.0003","90","","91.931","0.001","90","","3611.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C144 H100 Br12 N12 O28 Pr4 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0747","0.0422","","","0.0958","0.109","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227592","10.9343","0.0015","12.5436","0.0017","14.0627","0.0019","68.83","0.002","88.536","0.003","74.185","0.002","1724.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0797","0.0486","","","0.0954","0.1061","","","","","","0.982","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227593","25.3124","0.0012","29.7294","0.0014","9.5415","0.0004","90","","90","","90","","7180.2","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C288 H200 Br24 La8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0687","0.0349","","","0.0716","0.0829","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227594","13.809","0.0005","25.6321","0.0009","10.2526","0.0004","90","","92.434","0.001","90","","3625.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C144 H100 Br12 La4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0457","","","0.0995","0.1185","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227595","10.9414","0.0016","12.5871","0.0019","14.092","0.002","68.974","0.003","88.679","0.004","74.21","0.002","1737.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0675","0.0415","","","0.0875","0.0951","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227596","13.8159","0.0004","25.5564","0.0006","10.2526","0.0003","90","","92.18","0.01","90","","3617.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 Ce2 N6 O14 -","- C72 H50 Br6 Ce2 N6 O14 -","- C144 H100 Br12 Ce4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0707","0.0411","","","0.0983","0.1105","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227597","25.242","0.005","29.691","0.006","9.5673","0.0018","90","","90","","90","","7170","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H46 Br6 Ce2 N6 O14 -","- C72 H46 Br6 Ce2 N6 O14 -","- C288 H184 Br24 Ce8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0968","0.0416","","","0.0876","0.1052","","","","","","1.005","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227598","8.778","0.003","13.221","0.004","15.363","0.005","103.208","0.005","92.772","0.006","92.673","0.005","1730.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Y -","- C36 H25 Br3 N3 O7 Y -","- C72 H50 Br6 N6 O14 Y2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0789","0.0406","","","0.0823","0.0946","","","","","","0.963","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227599","8.7578","0.0007","13.2715","0.0011","15.3805","0.0012","103.408","0.0009","92.838","0.001","92.302","0.001","1734.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Gd N3 O7 -","- C36 H25 Br3 Gd N3 O7 -","- C72 H50 Br6 Gd2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0555","0.0368","","","0.0796","0.0873","","","","","","1.009","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227600","25.0965","0.0017","29.647","0.002","9.605","0.0007","90","","90","","90","","7146.5","0.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H47 Br6 N6 Nd2 O14 -","- C72 H47 Br6 N6 Nd2 O14 -","- C288 H188 Br24 N24 Nd8 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0562","0.0364","","","0.0785","0.0858","","","","","","1.118","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227601","25.1741","0.0016","29.6104","0.0019","9.5656","0.0006","90","","90","","90","","7130.3","0.8","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C288 H200 Br24 N24 O56 Pr8 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0651","0.0454","","","0.1125","0.1223","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227602","10.962","0.003","12.556","0.003","14.059","0.004","68.944","0.004","88.62","0.006","74.244","0.005","1732.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.104","0.0543","","","0.0986","0.1187","","","","","","0.968","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227611","4.587","0.003","9.666","0.004","19.148","0.005","90","","91.76","0.02","90","","848.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1164","0.1272","","","","","","1.168","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227612","4.58","0.002","9.633","0.003","19.017","0.005","90","","91.18","0.02","90","","838.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.0777","0.046","","","0.0981","0.1099","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227624","8.0895","0.0016","11.829","0.002","18.063","0.004","86.63","0.03","77.32","0.03","77.33","0.03","1645.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 N6 O16 P4 Zn3 -","- C22 H25 N6 O16 P4 Zn3 -","- C44 H50 N12 O32 P8 Zn6 -","2","1","","Li, Jin-Hua; Han, Song-De; Pan, Jie; Xue, Zhen-Zhen; Wang, Guo-Ming; Wang, Zong-Hua; Bao, Zhen-Zhen","Template synthesis and photochromism of a layered zinc diphosphonate","CrystEngComm","2017","19","8","1160","","10.1039/C7CE00212B","","","0.71073","MoKα","","0.056","0.0389","","","0.0749","0.0802","","","","","","1.052","","","","has coordinates","193754","2020-10-21","18:00:00",""
"7227646","16.028","0.005","12.352","0.004","17.52","0.005","90","","104.455","0.019","90","","3358.8","1.8","108","2","108","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Bis(trifluormethyl)dimethylfluoranthen","","- C22 H16 F6 -","- C22 H16 F6 -","- C176 H128 F48 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0516","0.0352","","","0.0883","0.1009","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227647","11.817","0.003","21.237","0.004","8.258","0.0016","90","","97.474","0.002","90","","2054.8","0.8","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C96 H56 F48 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71075","MoKα","","","0.0504","","","","0.0599","","","","","","3.246","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227648","30.365","0.011","12.085","0.004","13.365","0.004","90","","90","","90","","4904","3","133","2","133","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C32 H16 F10 -","- C32 H16 F10 -","- C256 H128 F80 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0914","0.0663","","","0.1364","0.1477","","","","","","1.093","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227649","8.943","0.002","9.827","0.002","21.451","0.005","90","","97.064","0.005","90","","1870.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F9 -","- C23 H14 F9 -","- C92 H56 F36 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0538","0.0474","","","0.1089","0.1116","","","","","","1.218","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227650","12.017","0.002","7.1071","0.0014","35.635","0.007","90","","92.848","0.005","90","","3039.7","1","133","2","133","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0596","0.0462","","","0.1194","0.1313","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227651","12.479","0.002","11.3269","0.0019","29.181","0.005","90","","101.941","0.002","90","","4035.4","1.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C192 H112 F96 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71069","MoKα","","0.0585","0.0505","","","0.1387","0.1453","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227652","21.1643","0.0012","11.9365","0.0006","12.8317","0.0008","90","","106.535","0.002","90","","3107.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 -","- C21 H17 F3 -","- C168 H136 F24 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0929","0.0567","","","0.1301","0.146","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227653","7.8051","0.0009","13.136","0.0015","14.1342","0.0015","78.497","0.009","85.326","0.009","85.781","0.01","1412.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","1","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0953","0.0875","","","0.1825","0.1919","","","","","","0.935","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227654","10.988","0.003","3.9173","0.0009","31.538","0.009","90","","99.68","0.02","90","","1338.2","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl2 F2 Hg N3 O -","- C11 H7 Cl2 F2 Hg N3 O -","- C44 H28 Cl8 F8 Hg4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0965","0.0941","","","0.1497","0.1981","","","","","","0.968","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227655","6.7713","0.0012","12.7185","0.0015","33.489","0.004","90","","90","","90","","2884.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Br2 F2 Hg N3 O -","- C11 H7 Br2 F2 Hg N3 O -","- C88 H56 Br16 F16 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0998","0.0928","","","0.1944","0.1996","","","","","","1.032","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227656","7.4184","0.0004","10.1888","0.0006","18.148","0.0013","90","","91.187","0.004","90","","1371.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O Zn -","- C12 H10 Cl2 N4 O Zn -","- C48 H40 Cl8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0429","0.0384","","","0.0915","0.0934","","","","","","1.046","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7227657","29.767","0.0012","10.3466","0.0004","25.8735","0.001","90","","98.543","0.002","90","","7880.3","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H52 I6 N16 O8 Zn5 -","- C72 H52 I6 N16 O8 Zn5 -","- C288 H208 I24 N64 O32 Zn20 -","4","0.5","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.088","0.0538","","","0.1108","0.1243","","","","","","1.02","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227658","7.6877","0.0014","10.3625","0.0019","18.182","0.003","90","","91.183","0.002","90","","1448.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N4 O Zn -","- C12 H10 Br2 N4 O Zn -","- C48 H40 Br8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0474","0.0377","","","0.0884","0.0931","","","","","","1.078","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227659","9.1458","0.0006","11.706","0.0009","18.2478","0.0012","80.629","0.009","77.512","0.008","88.044","0.009","1881.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 N4 O Zn -","- C18 H14 Br2 N4 O Zn -","- C72 H56 Br8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0477","0.0287","","","0.0579","0.0608","","","","","","0.826","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227660","9.0285","0.0006","11.7143","0.0008","17.5898","0.0011","82.781","0.008","78.436","0.005","88.107","0.008","1808.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 N4 O Zn -","- C18 H14 Cl2 N4 O Zn -","- C72 H56 Cl8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0374","0.029","","","0.0742","0.0759","","","","","","0.949","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227661","9.2443","0.0018","10.2822","0.0013","14.4976","0.0016","82.264","0.01","86.277","0.013","88.43","0.013","1362.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N10 O9 -","- C24 H22 Cd N10 O9 -","- C48 H44 Cd2 N20 O18 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0883","0.0524","","","0.0708","0.0771","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227662","9.347","0.0014","11.475","0.0012","18.59","0.002","78.554","0.005","76.342","0.006","87.434","0.004","1899","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Cd N4 O -","- C18 H14 Br2 Cd N4 O -","- C72 H56 Br8 Cd4 N16 O4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0366","0.0284","","","0.0566","0.0597","","","","","","1.045","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227672","19.627","0.002","7.315","0.001","23.51","0.003","90","","114.567","0.008","90","","3069.8","0.7","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N3 O9 -","- C30 H45 N3 O9 -","- C120 H180 N12 O36 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.202","0.0884","","","0.2088","0.2795","","","","","","0.969","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227673","24.6517","0.0013","4.7182","0.0003","25.6558","0.0012","90","","96.827","0.004","90","","2962.9","0.3","100","2","99.99","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H43 N3 O14 -","- C24 H43 N3 O14 -","- C96 H172 N12 O56 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0729","0.0547","","","0.1396","0.1547","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227674","15.5682","0.0006","15.5682","0.0006","6.8268","0.0003","90","","90","","120","","1432.93","0.1","100","2","99.99","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","0.166667","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0615","0.0533","","","0.1608","0.1674","","","","","","1.064","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227675","4.9042","0.0002","16.9098","0.0006","17.0515","0.0007","77.472","0.003","87.209","0.004","83.111","0.003","1370.05","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O9 -","- C21 H27 N3 O9 -","- C42 H54 N6 O18 -","2","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0854","0.0581","","","0.1507","0.1651","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227677","14.214","0.002","9.8017","0.0014","19.392","0.003","90","","95.548","0.004","90","","2689.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C104 H120 Cl8 N16 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.08","0.0499","","","0.1064","0.1149","","","","","","0.934","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227678","12.228","0.003","8.896","0.002","14.798","0.004","90","","113.166","0.006","90","","1479.9","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1389","0.0544","","","0.0865","0.1042","","","","","","0.765","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227679","12.072","0.004","7.01","0.002","17.035","0.005","90","","101.402","0.007","90","","1413.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl2 N2 S -","- C13 H14 Cl2 N2 S -","- C52 H56 Cl8 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1","0.0537","","","0.1075","0.1259","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227680","8.729","0.003","9.683","0.003","10.503","0.004","64.578","0.005","78.685","0.006","63.892","0.006","719.9","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C28 H36 N4 O2 S2 -","2","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.108","0.0522","","","0.0852","0.0999","","","","","","0.824","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227685","24.6076","0.0013","9.1723","0.0003","19.6702","0.0014","90","","110.211","0.007","90","","4166.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br Cl2 N5 O2 Zn -","- C16 H18 Br Cl2 N5 O2 Zn -","- C128 H144 Br8 Cl16 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0813","0.0436","","","0.0822","0.0979","","","","","","0.994","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227686","24.5875","0.0009","9.1372","0.0003","19.5598","0.0007","90","","109.513","0.002","90","","4141.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N5 O2 Zn -","- C16 H18 Cl3 N5 O2 Zn -","- C128 H144 Cl24 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0991","0.0423","","","0.0948","0.1127","","","","","","1.02","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227687","13.6983","0.0009","15.3878","0.0009","22.9945","0.0015","90","","96.396","0.002","90","","4816.8","0.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 N9 O15 Si Zn3 -","- C43 H36 N9 O15 Si Zn3 -","- C172 H144 N36 O60 Si4 Zn12 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0922","0.0476","","","0.1087","0.1311","","","","","","1.014","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227688","18.64","0.003","22.795","0.004","13.281","0.002","90","","130.484","0.003","90","","4292.1","1.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd O5 Si0.5 -","- C14 H10 Cd O5 Si0.5 -","- C112 H80 Cd8 O40 Si4 -","8","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.03","0.0239","","","0.0514","0.0529","","","","","","0.948","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227689","13.9339","0.0005","21.224","0.0007","16.231","0.0006","90","","100.771","0.001","90","","4715.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Co3 N8 O16 Si -","- C40 H29 Co3 N8 O13 Si -","- C160 H116 Co12 N32 O52 Si4 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0616","0.0428","","","0.1047","0.1143","","","","","","1.08","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227690","9.108","0.0018","25.909","0.005","14.588","0.003","90","","96.69","0.03","90","","3419","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl Cu2 N5 O8 -","- C32 H39 Cl Cu2 N5 O8 -","- C128 H156 Cl4 Cu8 N20 O32 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.62998","synchrotron","","0.0809","0.0645","","","0.1752","0.1878","","","","","","0.969","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227691","9.2442","0.0004","26.9115","0.0013","13.167","0.0007","90","","90.408","0.002","90","","3275.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H32.5 Cl Cu N4 O10 -","- C30.5 H32.5 Cl Cu N4 O10 -","- C122 H130 Cl4 Cu4 N16 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1057","0.0628","","","0.137","0.1583","","","","","","1.026","","","","has coordinates,has disorder","195041","2020-10-21","18:00:00",""
"7227692","6.6863","0.0011","33.34","0.004","11.325","0.0019","90","","107.156","0.005","90","","2412.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl Cu N3 O10 -","- C20 H20 Cl Cu N3 O10 -","- C80 H80 Cl4 Cu4 N12 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1387","0.0632","","","0.1388","0.1696","","","","","","1.009","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227693","8.7638","0.0007","9.0088","0.0007","13.4894","0.0011","90.103","0.002","106.079","0.002","107.018","0.002","974.55","0.14","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0585","0.0438","","","0.1068","0.1143","","","","","","1.048","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227694","8.654","0.003","9.112","0.003","13.738","0.004","89.225","0.005","75.034","0.005","73.2","0.005","999.7","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1437","0.0783","","","0.1838","0.2199","","","","","","0.969","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227695","8.7754","0.001","9.0556","0.0011","13.2444","0.0016","91.068","0.002","105.733","0.002","108.766","0.002","952.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.06","0.0465","","","0.1149","0.1227","","","","","","1.036","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227696","8.7951","0.0013","9.1673","0.0013","13.4002","0.0018","92.358","0.012","104.633","0.012","109.317","0.011","977.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71069","MoKα","","0.0433","0.0314","","","0.0768","0.0811","","","","","","1.02","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227697","8.8205","0.0008","9.0902","0.0008","13.6352","0.0013","90.168","0.002","104.444","0.002","107.949","0.002","1003.4","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0805","0.0664","","","0.1705","0.1809","","","","","","1.046","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227698","8.8175","0.0012","9.1617","0.0012","13.8108","0.0018","90.54","0.002","103.988","0.002","109.55","0.001","1015.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.05","0.0373","","","0.0839","0.0911","","","","","","1.027","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227699","8.77","0.0012","9.211","0.0012","13.5822","0.0019","89.993","0.003","75.599","0.003","71.823","0.003","1006.1","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1001","0.0599","","","0.1526","0.1787","","","","","","1.059","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227700","8.7623","0.0009","9.125","0.001","13.4315","0.0014","90.012","0.002","106.064","0.002","107.409","0.002","980.68","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0603","0.041","","","0.1039","0.1132","","","","","","1.052","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227703","7.3859","0.0005","15.9445","0.0012","8.7003","0.0006","90","","90","","90","","1024.59","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B16 Gd7.5 O48 Sr12 Yb0.5 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","1","0.125","","Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin","A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4","CrystEngComm","2017","19","12","1620","","10.1039/C7CE00025A","","","0.71073","MoKα","","0.0476","0.0434","","","0.112","0.116","","","","","","1.096","","","","has coordinates,has disorder","195045","2020-10-21","18:00:00",""
"7227711","26.744","0.004","26.744","0.004","4.997","0.0001","90","","90","","120","","3095.2","0.7","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 Br N O4.33 -","- C24 H20 Br N O4.3333 -","- C144 H120 Br6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1208","0.0691","","","0.1693","0.2006","","","","","","1.065","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227712","4.92","0.001","13.034","0.003","36.789","0.007","90","","90","","90","","2359.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F N O5 S -","- C26 H26 F N O5 S -","- C104 H104 F4 N4 O20 S4 -","4","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.8","Synchrotron","","0.1448","0.115","","","0.2979","0.3191","","","","","","1.081","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227713","13.168","0.003","4.839","0.001","17.4","0.004","90","","111.41","0.03","90","","1032.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O4 -","- C24 H20 Cl N O4 -","- C48 H40 Cl2 N2 O8 -","2","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1171","0.0665","","","0.1645","0.1977","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227714","26.878","0.004","26.878","0.004","4.999","0.001","90","","90","","120","","3127.6","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 I N O4.33 -","- C24 H20 I N O4.3333 -","- C144 H120 I6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1424","0.0733","","","0.1554","0.1896","","","","","","1.014","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227715","20.187","0.003","10.5943","0.0015","24.296","0.004","90","","90","","90","","5196.1","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H52 Mn3 N5 O20 -","- C56 H52 Mn3 N5 O20 -","- C224 H208 Mn12 N20 O80 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.043","0.0319","","","0.0663","0.0705","","","","","","1.032","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227716","8.8593","0.0012","9.9579","0.0015","14.811","0.003","103.45","0.007","97.543","0.005","90.896","0.007","1258.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Mn N3 O8 -","- C26 H17 Mn N3 O8 -","- C52 H34 Mn2 N6 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0755","0.0665","","","0.1913","0.2003","","","","","","1.058","","","","has coordinates,has disorder","195044","2020-10-21","18:00:00",""
"7227717","10.7524","0.0005","14.4645","0.0005","15.5968","0.0005","90","","100.955","0.003","90","","2381.54","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Mn N3 O6 -","- C28 H19 Mn N3 O6 -","- C112 H76 Mn4 N12 O24 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0692","0.0494","","","0.1014","0.1201","","","","","","1.099","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227718","10.088","0.003","10.16","0.003","13.027","0.004","97.791","0.002","106.85","0.003","114.222","0.003","1114.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mn N2 O8 -","- C22 H21 Mn N2 O8 -","- C44 H42 Mn2 N4 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0363","0.0341","","","0.099","0.1004","","","","","","1.073","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227719","9.7818","0.0007","12.9471","0.0006","13.4939","0.0009","90","","105.008","0.004","90","","1650.65","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Mn N2 O5 -","- C21 H13 Mn N2 O5 -","- C84 H52 Mn4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0451","0.0369","","","0.0904","0.093","","","","","","1.059","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227720","7.7079","0.0001","7.7079","0.0001","9.4483","0.0003","90","","90","","120","","486.135","0.018","298","","298","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Cl Li N3 O3 -","- C3 H3 Cl Li N3 O3 -","- C9 H9 Cl3 Li3 N9 O9 -","3","0.166667","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.0725","15.8185","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227721","7.6807","0.0001","7.6807","0.0001","6.3662","0.0001","90","","90","","120","","325.246","0.008","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3 H3 Cl N3 Na O3 -","- C3 H3 Cl N3 Na O3 -","- C6 H6 Cl2 N6 Na2 O6 -","2","0.0833333","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.043","9.36586","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227724","31.687","0.002","10.9573","0.0005","27.1488","0.0015","90","","115.982","0.006","90","","8473.5","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H60 Co5 N12 O38 -","- C82 H58 Co5 N12 O38 -","- C328 H232 Co20 N48 O152 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1172","0.0644","","","0.1332","0.165","","","","","","0.987","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227725","13.6157","0.0013","19.5109","0.0019","8.7982","0.0009","90","","96.577","0.001","90","","2321.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Co N4 O8 -","- C24 H14 Co N4 O8 -","- C96 H56 Co4 N16 O32 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0333","0.03","","","0.0797","0.0821","","","","","","1.035","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227726","17.4893","0.0016","12.6182","0.0011","24.895","0.0018","90","","90","","90","","5493.9","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21 Co N6 O8.5 -","- C28 H20 Co N6 O8.5 -","- C224 H160 Co8 N48 O68 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1088","0.0608","","","0.1048","0.125","","","","","","1.05","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227727","14.129","0.003","11.967","0.002","17.318","0.004","90","","107.944","0.002","90","","2785.7","1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H18 Co N6 O9 -","- C26 H16 Co N6 O9 -","- C104 H64 Co4 N24 O36 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0925","0.067","","","0.2091","0.2321","","","","","","1.052","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227728","13.3233","0.0004","23.3778","0.0008","8.8535","0.0003","90","","93.832","0.003","90","","2751.43","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Co N5 O8 -","- C29 H18 Co N5 O8 -","- C116 H72 Co4 N20 O32 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0935","0.059","","","0.1272","0.147","","","","","","1.024","","","","has coordinates,has disorder","195027","2020-10-21","18:00:00",""
"7227732","13.51","0.005","14.382","0.005","18.388","0.007","90","","92.036","0.006","90","","3571","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cu5 Ho2 N10 O28 -","- C54 H74 Cu5 Ho2 N10 O28 -","- C108 H148 Cu10 Ho4 N20 O56 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d–4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0585","0.0379","","","0.0856","0.0964","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227733","9.5585","0.0019","14.859","0.003","14.869","0.003","63.43","0.03","71.39","0.03","84.76","0.03","1786.7","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d–4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0387","0.0333","","","0.0813","0.0833","","","","","","0.9553","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227734","12.835","0.003","16.082","0.003","18.97","0.004","90","","105.8","0.03","90","","3767.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Dy2 N6 O34 -","- C58 H96 Cu5 Dy2 N6 O34 -","- C116 H192 Cu10 Dy4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0672","0.0513","","","0.1114","0.124","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227735","9.5555","0.0019","14.872","0.003","14.873","0.003","63.49","0.03","84.78","0.03","71.57","0.03","1791.2","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.039","0.0335","","","0.0915","0.1049","","","","","","1.0134","","","","has coordinates,has disorder","195021","2020-10-21","18:00:00",""
"7227736","12.795","0.003","16.128","0.003","19.041","0.004","90","","105.99","0.03","90","","3777.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Tb2 -","- C58 H96 Cu5 N6 O34 Tb2 -","- C116 H192 Cu10 N12 O68 Tb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0683","0.0606","","","0.1606","0.1701","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227737","12.8616","0.0003","16.2208","0.0004","18.8147","0.0005","90","","104.605","0.003","90","","3798.39","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Cu5 N6 O30 Tm2 -","- C50 H74 Cu5 N6 O30 Tm2 -","- C100 H148 Cu10 N12 O60 Tm4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d–4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.081","0.0465","","","0.1125","0.129","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227738","12.813","0.003","16.135","0.003","19.072","0.004","90","","105.84","0.03","90","","3793.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Gd2 N6 O34 -","- C58 H96 Cu5 Gd2 N6 O34 -","- C116 H192 Cu10 Gd4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0563","0.0416","","","0.0903","0.1001","","","","","","1.041","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227739","12.964","0.005","16.269","0.006","19.079","0.007","90","","105.362","0.006","90","","3880","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Yb2 -","- C58 H96 Cu5 N6 O34 Yb2 -","- C116 H192 Cu10 N12 O68 Yb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.053","0.0364","","","0.0873","0.1023","","","","","","1.153","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227740","10.0009","0.0005","10.7218","0.0005","21.5824","0.0011","81.629","0.003","81.306","0.003","73.137","0.003","2176.58","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H64 N4 O6 -","- C44 H64 N4 O6 -","- C88 H128 N8 O12 -","2","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1297","0.0704","","","0.2011","0.2377","","","","","","1.037","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227741","18.536","0.0013","33.68","0.003","16.0933","0.0011","90","","113.747","0.004","90","","9196.3","1.2","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C88 H90 O17 -","- C88 H90 O17 -","- C352 H360 O68 -","4","0.5","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2162","0.1648","","","0.4357","0.4633","","","","","","1.481","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227742","17.286","0.003","18.154","0.003","18.412","0.003","114.488","0.009","93.801","0.009","116.859","0.009","4456.2","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 O6 S2 -","- C32 H36 O6 S2 -","- C192 H216 O36 S12 -","6","3","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2972","0.1415","","","0.3582","0.4586","","","","","","1.114","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227743","47.845","0.009","10.2532","0.0012","19.755","0.004","90","","102.025","0.011","90","","9478","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H70 N4 O7 S -","- C46 H70 N4 O7 S -","- C368 H560 N32 O56 S8 -","8","2","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1799","0.0795","","","0.1958","0.2472","","","","","","0.961","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227744","11.0733","0.0007","6.1594","0.0003","15.85","0.0012","90","","110.183","0.002","90","","1014.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-2Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C28 H22 O2 -","- C28 H22 O2 -","- C56 H44 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0456","0.0355","","","0.1034","0.1258","","","","","","1.157","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227745","20.407","0.004","7.2998","0.0014","6.2","0.0011","90","","97.773","0.006","90","","915.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(5-phenylfuran-2-yl)benzene","","- C26 H18 O2 -","- C26 H18 O2 -","- C52 H36 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0863","0.0567","","","0.1454","0.1719","","","","","","1.189","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227746","13.2404","0.0006","5.4901","0.0002","15.3541","0.0007","90","","90.015","0.002","90","","1116.11","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5,3',5'-4Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0662","0.0494","","","0.1383","0.1815","","","","","","1.233","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227747","39.169","0.008","7.5511","0.0015","16.702","0.003","90","","95.27","0.03","90","","4919.1","1.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","2,5-Bis(17alpha-ethynyl-5delta-androst-2-en-17beta-ol)-4-nitroaniline","","- C48 H62 N2 O4 -","- C48 H62 N2 O4 -","- C192 H248 N8 O16 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.1544","0.0873","","","0.2242","0.2703","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227748","11.8249","0.0002","13.9462","0.0003","26.1937","0.0005","90","","90","","90","","4319.67","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","2,5-Bis(17alpha-ethynyl-estra-1,3,5-(10)-trien-17beta-ol-3-methyl ether)-4-nitroaniline","","- C48 H54 N2 O6 -","- C48 H54 N2 O6 -","- C192 H216 N8 O24 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.0843","0.0547","","","0.1386","0.1544","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227749","13.3831","0.0012","10.0721","0.0008","11.1876","0.0011","90","","90.401","0.009","90","","1508","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Hg N2 S2 -","- C10 H8 Br2 Hg N2 S2 -","- C40 H32 Br8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","x-ray","0.71073","MoKα","","0.0438","0.0354","","","0.0866","0.0898","","","","","","1.028","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227750","12.9022","0.001","9.8132","0.0011","11.2707","0.0008","90","","93.389","0.007","90","","1424.5","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Hg N2 S2 -","- C10 H8 Cl2 Hg N2 S2 -","- C40 H32 Cl8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0205","0.0178","","","0.0357","0.0361","","","","","","0.883","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227751","13.9527","0.0011","10.2881","0.0008","10.9667","0.0009","90","","94.445","0.009","90","","1569.5","0.2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Hg I2 N2 S2 -","- C10 H8 Hg I2 N2 S2 -","- C40 H32 Hg4 I8 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0197","0.0177","","","0.0409","0.0414","","","","","","1.035","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227752","9.7948","0.0005","10.1059","0.0005","22.8628","0.0011","90","","101.365","0.001","90","","2218.71","0.19","200.15","","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0479","0.0412","","","0.1074","0.1115","","","","","","1.07","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227753","9.8352","0.0005","10.4074","0.0005","22.6698","0.0011","90","","101.884","0.001","90","","2270.72","0.19","350.15","","350.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0598","0.0449","","","0.114","0.1239","","","","","","1.071","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227754","9.7701","0.0013","10.0137","0.0013","22.834","0.003","90","","101.106","0.004","90","","2192.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0694","0.0598","","","0.1527","0.1603","","","","","","1.058","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227755","9.8143","0.0004","10.2937","0.0004","22.7516","0.0008","90","","101.785","0.001","90","","2250.04","0.15","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0519","0.0436","","","0.1134","0.1184","","","","","","1.044","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227756","9.808","0.0003","10.2049","0.0004","22.817","0.0008","90","","101.631","0.001","90","","2236.85","0.14","250.15","","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0431","0.0372","","","0.097","0.101","","","","","","1.041","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227757","10.8035","0.0006","11.0281","0.0006","16.5111","0.0008","83.101","0.004","78.246","0.004","86.292","0.004","1910.34","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C52 H40 Cl4 N4 O38 Pb8 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0639","0.0434","","","0.0682","0.076","","","","","","1.001","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227758","33.4445","0.0016","10.358","0.0005","7.975","0.0003","90","","101.332","0.004","90","","2708.8","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl N O5 Pb S -","- C11 H9 Cl N O5 Pb S -","- C88 H72 Cl8 N8 O40 Pb8 S8 -","8","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0768","0.0621","","","0.1739","0.1876","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227759","7.1884","0.0005","10.6571","0.0007","12.4644","0.0008","92.225","0.005","91.08","0.006","109.457","0.006","899.14","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 O9 Pb2 S2 -","- C12 H8 Cl2 O9 Pb2 S2 -","- C24 H16 Cl4 O18 Pb4 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0567","0.04","","","0.0724","0.0783","","","","","","1.003","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227760","7.5895","0.0004","13.3371","0.0006","16.5241","0.0006","90","","92.337","0.004","90","","1671.21","0.13","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C64 H44 Cl4 N8 O16 Pb4 S4 -","2","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0615","0.0436","","","0.0873","0.0964","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227761","7.712","0.0003","9.8706","0.0005","17.3297","0.0008","90","","95.495","0.004","90","","1313.11","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl O10 Pb S2 -","- C6 H9 Cl O10 Pb S2 -","- C24 H36 Cl4 O40 Pb4 S8 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0624","0.0465","","","0.0947","0.1032","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227762","9.9814","0.0005","14.3511","0.0008","14.5242","0.0008","70.188","0.005","83.453","0.005","87.315","0.005","1944.52","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C48 H52 Cl4 N4 O42 Pb6 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0731","0.0485","","","0.0984","0.11","","","","","","1.025","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227763","9.3621","0.0006","9.7551","0.0005","10.9477","0.0008","80.577","0.005","69.059","0.006","88.515","0.005","920.62","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","1","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0518","0.0393","","","0.0616","0.0662","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227764","8.5537","0.001","9.2608","0.0015","13.8202","0.0014","99.041","0.011","102.3","0.009","108.323","0.012","985.3","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Cl N2 O9 Pb S2 -","- C16 H15 Cl N2 O9 Pb S2 -","- C32 H30 Cl2 N4 O18 Pb2 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0702","0.0555","","","0.1197","0.1302","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227795","9.4916","0.0003","22.4131","0.0007","10.1084","0.0003","90","","102.5","0.001","90","","2099.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Tb2 -","- C14 H11 N3 O17 Tb2 -","- C56 H44 N12 O68 Tb8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0247","0.0195","","","0.0424","0.0441","","","","","","1.048","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227796","9.428","0.0019","22.415","0.005","10.051","0.002","90","","102.12","0.03","90","","2076.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Dy2 N3 O17 -","- C14 H15 Dy2 N3 O17 -","- C56 H60 Dy8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0248","0.023","","","0.0516","0.0525","","","","","","1.038","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227797","9.574","0.0019","22.547","0.005","10.122","0.002","90","","102.04","0.03","90","","2136.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Eu2 N3 O17 -","- C14 H15 Eu2 N3 O17 -","- C56 H60 Eu8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0331","0.0293","","","0.0736","0.0754","","","","","","1.014","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227798","9.59","0.0019","22.621","0.005","10.129","0.002","90","","101.61","0.03","90","","2152.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.75 N3 O17 Sm2 -","- C14 H11 N3 O16.87 Sm2 -","- C56 H44 N12 O67.48 Sm8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.025","0.0243","","","0.0563","0.0568","","","","","","1.042","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227799","9.5261","0.0007","22.4729","0.0016","10.1216","0.0007","90","","102.263","0.002","90","","2117.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Gd2 N3 O17 -","- C14 H15 Gd2 N3 O17 -","- C56 H60 Gd8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.031","0.022","","","0.0401","0.0427","","","","","","1.039","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227800","7.1614","0.0008","19.471","0.002","8.7123","0.0009","90","","92.426","0.002","90","","1213.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 La N3 O7 -","- C11 H5 La N3 O7 -","- C44 H20 La4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0261","","","0.0487","0.0497","","","","","","1.67","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227801","9.612","0.0019","22.868","0.005","10.159","0.002","90","","101.07","0.03","90","","2191.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Pr2 -","- C14 H15 N3 O17 Pr2 -","- C56 H60 N12 O68 Pr8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0206","0.0205","","","0.0554","0.0554","","","","","","1.15","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227802","9.594","0.0019","22.789","0.005","10.146","0.002","90","","101.32","0.03","90","","2175.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 Nd2 O17 -","- C14 H15 N3 Nd2 O17 -","- C56 H60 N12 Nd8 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.02","0.0187","","","0.0479","0.0486","","","","","","1.041","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227803","7.086","0.0014","19.48","0.004","8.677","0.0017","90","","92.55","0.03","90","","1196.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Ce N3 O7 -","- C11 H7 Ce N3 O7 -","- C44 H28 Ce4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.7","synchrotron","","0.0303","0.028","","","0.076","0.078","","","","","","1.053","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227804","9.4056","0.0006","22.3152","0.0015","10.082","0.0007","90","","102.96","0.002","90","","2062.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Er2 N3 O17 -","- C14 H11 Er2 N3 O17 -","- C56 H44 Er8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0238","","","0.0507","0.0537","","","","","","1.056","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227805","9.4299","0.0003","22.3272","0.0008","10.0874","0.0004","90","","102.817","0.001","90","","2070.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Ho2 N3 O17 -","- C14 H11 Ho2 N3 O17 -","- C56 H44 Ho8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0269","0.0209","","","0.0413","0.043","","","","","","1.057","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227806","7.5408","0.0003","11.7049","0.0005","15.9042","0.0006","90.095","0.002","102.741","0.002","106.596","0.002","1309.03","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N4 O20 Zr -","- C16 H32 N4 O20 Zr -","- C32 H64 N8 O40 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.035","0.0331","","0.0383","0.0356","0.0351","","","","","","1.1011","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227807","7.0194","0.0004","17.8877","0.001","13.4593","0.0008","90","","90.3052","0.0016","90","","1689.94","0.17","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H32 N8 O18 Zr -","- C28 H32 N8 O18 Zr -","- C56 H64 N16 O36 Zr2 -","2","0.5","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.02","0.0198","","0.0206","0.0202","0.0201","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227808","15.078","0.005","20.979","0.005","8.776","0.005","90","","98.917","0.005","90","","2742.5","1.9","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O20 Zr -","- C20 H28 N4 O20 Zr -","- C80 H112 N16 O80 Zr4 -","4","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0842","0.0397","","0.0624","0.0315","0.0295","","","","","","1.1223","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227809","10.077","0.009","10.81","0.01","11.116","0.011","78.14","0.03","89.23","0.05","86.71","0.03","1183.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 N8 O18 S2 Zr -","- C10 H20 N8 O18 S2 Zr -","- C20 H40 N16 O36 S4 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0566","0.0488","","0.0469","0.0409","0.0402","","","","","","0.8618","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227812","6.7868","0.0014","20.823","0.004","7.4953","0.0015","90","","90","","90","","1059.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H14 Cd Cl3 N -","- C6 H14 Cd Cl3 N -","- C24 H56 Cd4 Cl12 N4 -","4","1","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.0536","0.0476","","","0.0909","0.0932","","","","","","1.056","","","","has coordinates","195036","2020-10-21","18:00:00",""
"7227813","6.779","0.006","7.648","0.006","20.8582","0.0017","90","","90","","90","","1081.4","1.3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cd2 Cl6 N2 -","- C12 H28 Cd2 Cl6 N2 -","- C24 H56 Cd4 Cl12 N4 -","2","0.25","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.1718","0.1328","","","0.1772","0.1945","","","","","","1.319","","","","has coordinates,has disorder","195036","2020-10-21","18:00:00",""
"7227814","14.6554","0.0005","6.00711","0.00018","17.9996","0.0005","90","","90.1994","0.0014","90","","1584.61","0.08","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","","0.0762","","","","0.2408","","","","","","1.606","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227815","4.70709","0.00016","26.1213","0.0012","12.1528","0.0005","90","","93.267","0.003","90","","1491.82","0.11","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","0.0667","0.0567","","","0.1651","0.1793","","","","","","1.096","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227816","9.3812","0.0002","12.9376","0.0003","18.1801","0.0004","90","","90","","90","","2206.52","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H19 Cu2 N9 O9 -","- C15 H19 Cu2 N9 O9 -","- C60 H76 Cu8 N36 O36 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.1005","0.0718","","","0.2031","0.2334","","","","","","1.16","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227817","7.1767","0.0003","7.3661","0.0004","12.3418","0.0007","90","","90","","90","","652.44","0.06","150","2","150","2","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C H7 Cu N3 O5 -","- C H7 Cu N3 O5 -","- C4 H28 Cu4 N12 O20 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0734","0.0496","","","0.1366","0.1872","","","","","","1.205","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227818","7.4087","0.0006","7.8568","0.0007","12.3745","0.001","90","","90","","90","","720.3","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H7 Cl Cu N2 O6 -","- C H7 Cl Cu N2 O6 -","- C4 H28 Cl4 Cu4 N8 O24 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0969","0.0534","","","0.1266","0.214","","","","","","1.177","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227819","12.5284","0.0006","6.3807","0.0002","20.8145","0.0008","90","","105.488","0.004","90","","1603.49","0.11","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N2 Na O5 -","- C12 H12 Cl2 N2 Na O5 -","- C48 H48 Cl8 N8 Na4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","0.0741","0.0676","","","0.1792","0.1884","","","","","","1.091","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227820","7.8772","0.0008","7.9735","0.0008","10.4011","0.0008","94.304","0.007","106.276","0.008","109.851","0.009","579.26","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0321","","","","0.0912","","","","","","1.079","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227821","6.108","0.0003","10.6399","0.0005","12.546","0.0007","109.248","0.004","92.148","0.004","90.445","0.004","769.05","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cs N2 O4 -","- C12 H10 Cl2 Cs N2 O4 -","- C24 H20 Cl4 Cs2 N4 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.047","0.0432","","","0.1111","0.1153","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227822","13.2615","0.0003","18.7662","0.0003","16.7948","0.0002","90","","90","","90","","4179.69","0.13","293","2","293","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C32 Cl8 Cs4 N8 O9 -","- C32 Cl8 Cs4 N8 O9 -","- C128 Cl32 Cs16 N32 O36 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0517","0.0506","","","0.1296","0.1314","","","","","","1.018","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227823","16.044","0.005","16.044","0.005","3.555","0.005","90","0.005","90","0.005","120","0.005","792.5","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 3 1 m","P 3 -2","157","","","","- C8 H2 Cl2 K N2 O3 -","- C8 H2 Cl2 K N2 O3 -","- C24 H6 Cl6 K3 N6 O9 -","3","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0624","0.0608","","","0.165","0.1671","","","","","","1.126","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227824","7.975","0.0012","8.0294","0.0013","10.4361","0.0014","94.183","0.012","106.05","0.013","110.302","0.014","591.66","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0581","","","","0.1705","","","","","","1.068","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227825","20.039","0.003","17.152","0.003","14.09","0.003","90","","99.843","0.008","90","","4771.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Mo7 N8 O39 -","- C20 H28 Mo7 N8 O39 -","- C80 H112 Mo28 N32 O156 -","4","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.1319","0.0884","","","0.2303","0.2691","","","","","","1.112","","","","has coordinates,has disorder","196388","2020-10-21","18:00:00",""
"7227826","11.3855","0.0009","11.3943","0.0009","16.1815","0.0012","77.32","0.003","73.592","0.003","64.011","0.003","1798.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H42 Mo7 N3 O33.5 -","- C8 H18 Mo7 N3 O33.5 -","- C16 H36 Mo14 N6 O67 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0873","0.0793","","","0.2066","0.2117","","","","","","1.176","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227827","29.144","0.0011","29.144","0.0012","12.032","0.0004","90","","90","","120","","8850.5","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H46 Mo8 N2 O28 -","- C16 H46 Mo8 N2 O28 -","- C144 H414 Mo72 N18 O252 -","9","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0324","0.0246","","","0.0544","0.0578","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227828","8.8713","0.0012","10.8897","0.0015","21.328","0.003","98.581","0.005","95.318","0.005","99.992","0.005","1991.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H54 Mo7 N8 O30 -","- C12 H54 Mo7 N8 O30 -","- C24 H108 Mo14 N16 O60 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0204","0.0192","","","0.0475","0.0482","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227829","27.592","0.0009","20.794","0.0006","16.12","0.0005","90","","90","","90","","9248.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H53 Mo7 N6 O35.5 -","- C18 H26 Mo7 N6 O35.5 -","- C144 H208 Mo56 N48 O284 -","8","2","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.051","0.0434","","","0.1053","0.11","","","","","","1.055","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227830","28.887","0.002","12.1278","0.0009","21.5485","0.0016","90","","108.698","0.003","90","","7150.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H44 Mo7 N O37.5 -","- C4 H39 Mo7 N O37.5 -","- C32 H312 Mo56 N8 O300 -","8","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.041","0.0325","","","0.0856","0.0936","","","","","","0.959","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227838","6.036","0.0007","10.7787","0.0008","10.9735","0.001","90","","94.546","0.01","90","","711.69","0.12","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dinitro-1,3-pentadiene","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.047","0.0357","","","0.0953","0.0983","","","","","","0.955","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227839","8.3219","0.0007","5.2142","0.0004","12.3799","0.0013","90","","90.819","0.012","90","","537.13","0.08","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene 1,4-Dioxane (1/1) solvate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0383","0.0301","","","0.0827","0.086","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227840","5.4312","0.0008","6.1004","0.001","12.3902","0.0013","90","","101.006","0.005","90","","402.97","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dinitro-2,4-hexadiene","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C12 H16 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0783","0.0422","","","0.0991","0.1174","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227841","3.8306","0.0003","10.3433","0.0006","7.9532","0.0006","90","","102.516","0.006","90","","307.63","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene","","- C4 H4 N2 O4 -","- C4 H4 N2 O4 -","- C8 H8 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0585","0.0356","","","0.0881","0.1023","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227851","22.089","0.013","6.142","0.004","13.906","0.009","90","","125.968","0.009","90","","1526.9","1.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Co2 N6 O11 -","- C28 H26 Co2 N6 O11 -","- C56 H52 Co4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.0715","0.0606","","","0.1639","0.1796","","","","","","1.198","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227852","22.4588","0.0011","6.1786","0.0004","14.1282","0.0007","90","","127.551","0.004","90","","1554.29","0.17","293","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Mn2 N6 O11 -","- C28 H24 Mn2 N6 O11 -","- C56 H48 Mn4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.064","0.0624","","","0.1769","0.1806","","","","","","1.093","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227853","17.3616","0.0004","22.7205","0.0008","10.3693","0.0003","90","","106.01","0.0012","90","","3931.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H36 Cu N0 O5 -","- C39 H36 Cu O5 -","- C156 H144 Cu4 O20 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1028","0.0775","","","0.2255","0.2455","","","","","","1.029","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227854","13.2142","0.0005","13.8021","0.0005","15.108","0.0005","98.5544","0.0013","94.0136","0.0013","108.002","0.0012","2571.64","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C106 H112 Cu4 O20 -","- C106 H105 Cu4 O20 -","- C106 H105 Cu4 O20 -","1","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.0996","0.0732","","","0.2015","0.2233","","","","","","1.059","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227855","31.812","0.0009","31.812","0.0009","79.5235","0.0019","90","","90","","120","","69696","3","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C151 H132 Cs0 Cu4 N2 O20 -","- C151 H115 Cu4 N2 O20 -","- C2718 H2070 Cu72 N36 O360 -","18","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","1.5418","CuKα","","0.1495","0.1134","","","0.3136","0.3466","","","","","","1.224","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227856","18.4059","0.0007","18.7645","0.0009","34.5211","0.0014","90","","90","","90","","11922.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu4 N O20 -","- C81 H65 Cu4 N O20 -","- C324 H260 Cu16 N4 O80 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1036","0.0767","","","0.2268","0.2458","","","","","","1.045","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227857","7.622","0.001","19.178","0.002","10.846","0.0013","90","","96.04","0.002","90","","1576.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly{[octaaquabis(mu-6-aminopyridine-3-carboxylato-kN:kO)dimanganese(II)]di(mu-6-aminopyridine-3-carboxylato)}","","- C24 H36 Mn2 N8 O16 -","- C24 H36 Mn2 N8 O16 -","- C48 H72 Mn4 N16 O32 -","2","0.5","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0546","0.041","","","0.1015","0.1111","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227858","26.181","0.006","7.86","0.0018","15.687","0.003","90","","117.124","0.007","90","","2873.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu-6-aminopyridine-3-carboxylato-kN:kO)cobalt(II)]hydrate}","","- C12 H12 Co N4 O5 -","- C12 H12 Co N4 O5 -","- C96 H96 Co8 N32 O40 -","8","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.143","0.0956","","","0.1918","0.21","","","","","","1.14","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227859","9.81","0.0008","14.1534","0.0011","14.2636","0.0011","73.12","0.03","74.15","0.03","86.86","0.03","1822.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[triaqua(6-aminopyridine-3-carboxylato-kO)bis(4,4'-bipyridine)cobalt(II)](6-aminopyridine-3-carboxylato)pentahydrate","","- C32 H42 Co N8 O12 -","- C32 H42 Co N8 O12 -","- C64 H84 Co2 N16 O24 -","2","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.1672","0.0803","","","0.1876","0.218","","","","","","1.045","","","","has coordinates,has disorder","196385","2020-10-21","18:00:00",""
"7227860","11.895","0.0005","7.3902","0.0002","18.7683","0.0005","90","","90","","90","","1649.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly{[triaqua(mu-6-aminopyridine-3-carboxylato-kN:kO)(6-aminopyridine-3-carboxylato-kO')cobalt(II)]dihydrate}","","- C12 H20 Co N4 O9 -","- C12 H20 Co N4 O9 -","- C48 H80 Co4 N16 O36 -","4","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0393","0.0334","","","0.069","0.0726","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227864","7.131","0.004","9.138","0.005","14.261","0.008","77.831","0.017","76.835","0.019","79.429","0.019","875.5","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Yb3 -","- C10 H13 O13 S2 Yb3 -","- C20 H26 O26 S4 Yb6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.0678","0.0569","","","0.1488","0.155","","","","","","1.066","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227865","7.373","0.006","9.398","0.008","14.426","0.011","77.28","0.03","76.81","0.03","78.97","0.03","938.8","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Gd3 O13 S2 -","- C10 H13 Gd3 O13 S2 -","- C20 H26 Gd6 O26 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1071","0.1041","","","0.2715","0.2745","","","","","","1.054","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227866","7.2126","0.0007","9.2072","0.001","14.3212","0.0002","77.79","0.03","76.84","0.03","79.26","0.03","895.5","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Er3 O13 S2 -","- C10 H13 Er3 O12.99 S2 -","- C20 H26 Er6 O25.98 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1277","0.1097","","","0.2693","0.289","","","","","","1.02","","","","has coordinates,has disorder","196386","2020-10-21","18:00:00",""
"7227867","7.235","0.004","9.252","0.004","14.315","0.007","77.672","0.018","76.786","0.015","79.175","0.019","901.6","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Y3 -","- C10 H13 O13 S2 Y3 -","- C20 H26 O26 S4 Y6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1002","0.0948","","","0.2354","0.2399","","","","","","1.047","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227876","9.6422","0.0003","9.6691","0.0004","10.1342","0.0004","66.683","0.002","71.511","0.001","67.162","0.001","784.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 Br N2 O -","- C17 H19 Br N2 O -","- C34 H38 Br2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0542","0.0386","","","0.0941","0.1007","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227877","18.632","0.006","8.288","0.002","14.009","0.005","90","","127.796","0.008","90","","1709.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(3-bromo-4-(dimethylamino)phenyl)methanone","bis(3-bromo-4-(dimethylamino)phenyl)methanone","","- C17 H18 Br2 N2 O -","- C17 H18 Br2 N2 O -","- C68 H72 Br8 N8 O4 -","4","0.5","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0382","0.0294","","","0.074","0.079","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227878","7.2012","0.0007","10.0238","0.001","10.6964","0.001","84.21","0.003","81.717","0.003","70.242","0.003","717.94","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","3,3?-Dibromo-4,4?-dimethoxybenzophenone","","- C15 H12 Br2 O3 -","- C15 H12 Br2 O3 -","- C30 H24 Br4 O6 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0268","0.0221","","","0.0585","0.0608","","","","","","0.993","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227879","11.8321","0.001","9.9164","0.0008","13.5148","0.001","90","","94.805","0.003","90","","1580.1","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-bromo-4-(dimethylamino)phenyl)(3-bromo-4-(methylamino)phenyl)methanone","","- C16 H16 Br2 N2 O -","- C16 H16 Br2 N2 O -","- C64 H64 Br8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0799","0.066","","","0.1791","0.2001","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227880","12.2967","0.0005","9.6212","0.0005","14.0625","0.0006","90","","96.74","0.002","90","","1652.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(dimethylamino)-3-iodophenyl)(3-iodo-4-(methylamino)phenyl)methanone","","- C16 H16 I2 N2 O -","- C16 H16 I2 N2 O -","- C64 H64 I8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0344","0.0241","","","0.0471","0.0504","","","","","","1.117","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227881","9.5382","0.0005","9.6556","0.0005","10.2314","0.0005","72.585","0.002","68.506","0.002","67.819","0.002","797.58","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C34 H38 I2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0507","0.0323","","","0.0638","0.0689","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227893","9.48269","0.00014","12.34678","0.00029","3.68977","0.000052","90","","90","","90.4227","0.0069","431.989","0.013","298","","298","","","","","","","","","5","P 1 1 2/m","-P 2","10","Dibromo(4-cyanopyridine)Nickel","Dibromo(4-cyanopyridine)Nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.628","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227894","26.69813","0.00038","7.29357","0.00011","3.735946","0.000042","90","","90","","90","","727.481","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Nickel","Dibromo-bis(4-cyanopyridine)Nickel","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01613","1.481","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227895","9.50494","0.00026","7.58104","0.00041","3.513186","0.000064","90","","90","","128.019","0.0032","199.433","0.015","298","","298","","","","","","","","","5","P 1 1 m","P -2","6","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro(4-cyanopyridine)Nickel","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","1","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01769","1.485","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227896","26.8461","0.0015","7.31908","0.00032","3.7708","0.00011","90","","90","","90","","740.92","0.06","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Cobalt","Dibromo-bis(4-cyanopyridine)Cobalt","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","0.00863","1.06","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227897","7.96092","0.00038","27.33624","0.00013","3.79473","0.00018","90","","97.4815","0.0016","90","","818.79","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.03203","2.091","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227898","26.4504","0.0007","7.16668","0.00019","3.58904","0.00007","90","","92.474","0.004","90","","679.71","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro-bis(4-cyanopyridine)Nickel","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C24 H16 Cl4 N8 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0085","1.366","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227899","13.83118","0.00025","7.93848","0.00014","3.79073","0.000043","96.1714","0.0015","94.9144","0.0014","96.8254","0.0011","408.824","0.011","298","","298","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C12 H8 Cl4 Cu2 N4 -","2","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01767","1.742","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227900","8.322","0.005","10.111","0.005","14.048","0.005","99.667","0.005","102.545","0.005","113.317","0.005","1016.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O8 -","- C21 H16 Cd N2 O8 -","- C42 H32 Cd2 N4 O16 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0838","0.0642","","","0.1858","0.2","","","","","","1.07","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227901","8.363","0.009","10.188","0.011","14.322","0.015","98.845","0.015","100.165","0.014","112.564","0.012","1076","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71073","MoKα","","0.064","0.0467","","","0.1106","0.1441","","","","","","1.148","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227902","8.418","0.005","10.214","0.005","11.382","0.005","75.111","0.005","83.956","0.005","78.582","0.005","925.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N O7 -","- C22 H16 Cd N O7 -","- C44 H32 Cd2 N2 O14 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0448","0.036","","","0.0843","0.0888","","","","","","1.053","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227903","9.904","0.005","11.945","0.005","13.078","0.005","69.194","0.005","75.412","0.005","70.291","0.005","1346.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0871","0.0466","","","0.0899","0.1021","","","","","","1.028","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227904","9.995","0.005","18.248","0.005","22.57","0.005","90","0.005","90","0.005","90","0.005","4117","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cd3 O26 -","- C32 H40 Cd3 O26 -","- C128 H160 Cd12 O104 -","4","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0511","0.0388","","","0.09","0.0972","","","","","","1.08","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227905","16.164","0.005","11.755","0.005","20.199","0.004","90","","120.402","0.017","90","","3310.2","1.9","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C62 H46 Cd3 N6 O16 -","- C62 H46 Cd3 N6 O16 -","- C124 H92 Cd6 N12 O32 -","2","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0961","0.0593","","","0.1531","0.1683","","","","","","1.007","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227906","15.0907","0.0009","15.2326","0.0009","18.8918","0.0011","80.9942","0.0009","83.7204","0.001","75.2446","0.0009","4136.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells–Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71","MoKα","","0.082","0.0757","","","0.1037","0.1251","","","","","","1.093","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7227907","22.034","0.013","22.034","0.013","34.773","0.016","90","","90","","120","","14620","14","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H144 As12 Cu36 Mo108 N216 O372 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","1","0.0277778","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells‒Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71073","MoKα","","0.0891","0.0717","","","0.1827","0.2128","","","","","","1.07","","","","has coordinates,has disorder","196376","2020-10-21","18:00:00",""
"7227908","13.3102","0.0019","17.025","0.002","14.896","0.002","90","","108.86","0.004","90","","3194.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","{D-Gln@TMeQ[6]}.Cl.11H2O","complex1","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1773","0.0989","","","0.2487","0.3059","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227909","13.4651","0.0009","16.34","0.0011","29.934","0.002","90","","100.665","0.002","90","","6472.3","0.8","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{TMeQ[6]?Cd(H2O)3D-Val?TMeQ[6]}.(NO3)2.21H2O","complex7","","- C85 H139 Cd N51 O53 -","- C85 H97 Cd N49 O45 -","- C170 H194 Cd2 N98 O90 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0523","0.0438","","","0.1082","0.1132","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227910","13.277","0.002","17.119","0.003","15.609","0.003","90","","112.981","0.002","90","","3266.2","1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Ser?TMeQ[6].Cl.10H2O","complex6","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O25 -","- C86 H104 N50 O50 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1404","0.0667","","","0.1728","0.1873","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227911","13.219","0.003","17.089","0.004","15.467","0.003","90","","112.608","0.007","90","","3225.5","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ser?TMeQ[6].Cl.10H2O","complex5","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O24.5 -","- C86 H104 N50 O49 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0901","0.0776","","","0.2151","0.2288","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227912","11.9992","0.0009","12.9523","0.0005","12.967","0.0005","117.184","0.001","105.147","0.002","93.662","0.002","1690.55","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(D-Met)@TMeQ[6]}.(NO3)2.10H2O","complex3","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0466","0.0456","","","0.1259","0.1284","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227913","13.2985","0.0015","17.0458","0.0019","14.9506","0.0017","90","","108.985","0.003","90","","3204.7","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{L-Gln@TMeQ[6]}.Cl.11H2O","complex2","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1557","0.0963","","","0.2409","0.2852","","","","","","1.006","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227914","12.0385","0.0011","12.9653","0.0006","12.9988","0.0006","117.301","0.002","93.649","0.002","105.198","0.002","1699.4","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(L-Met)@TMeQ[6]}.(NO3)2.10H2O","complex4","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O34 S -","- C45 H55 Cd N27 O34 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0953","0.0853","","","0.22","0.2464","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227915","25.5147","0.0015","13.4137","0.0008","14.6329","0.0009","90","","101.966","0.0009","90","","4899.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ce2 N6 O22 -","- C22 H18 Ce2 N2 O18 -","- C88 H72 Ce8 N8 O72 -","4","0.5","","Ma, Aiqing; Ke, Fei; Jiang, Jing; Yuan, Qiaoyu; Luo, Zhidong; Liu, Jianqiang; Kumar, Abhinav","Two lanthanide-based metal‒organic frameworks for highly efficient adsorption and removal of fluoride ions from water","CrystEngComm","2017","19","16","2172","","10.1039/C7CE00291B","","","0.71073","MoKα","","0.0806","0.0562","","","0.1506","0.1698","","","","","","1.039","","","","has coordinates","196384","2020-10-21","18:00:00",""
"7227918","4.0145","0.0003","26.7097","0.0018","11.7285","0.001","90","","94.126","0.007","90","","1254.34","0.17","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","0.71073","MoKα","","0.0573","0.0396","","","0.0754","0.0842","","","","","","1.014","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227919","21.986","0.002","3.9115","0.0004","30.02","0.002","90","","106.946","0.009","90","","2469.6","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0738","0.0575","","","0.1491","0.1688","","","","","","1.039","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227920","3.8841","0.0002","11.6062","0.0006","27.622","0.0012","90","","90","","90","","1245.19","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0454","0.0404","","","0.1083","0.1139","","","","","","1.077","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227922","4.8168","0.0006","10.4707","0.001","11.0951","0.0009","107.086","0.008","95.382","0.009","93.503","0.009","530.21","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C4 H6 O5 -","- C4 H6 O5 -","- C16 H24 O20 -","4","4","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0557","0.0519","","","0.1375","0.1425","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227923","25.7697","0.0014","5.2445","0.0002","9.6681","0.0006","90","","97.215","0.005","90","","1296.29","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10.85 H22.57 N2 O4 -","- C10.845 H22.57 N2 O4 -","- C43.38 H90.28 N8 O16 -","4","1","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0439","0.0428","","","0.1171","0.1182","","","","","","1.061","","","","has coordinates","195033","2020-10-21","18:00:00",""
"7228000","10.4069","0.0013","14.095","0.0017","15.263","0.002","86.244","0.003","85.165","0.003","85.393","0.004","2219.8","0.5","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H51 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0496","","","","0.1333","","","","","","1.067","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228001","10.929","0.002","13.658","0.003","16.296","0.003","71.368","0.009","74.864","0.01","69.076","0.009","2123.1","0.7","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H44 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0514","","","","0.1398","","","","","","1.063","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228002","8.279","0.0006","13.8112","0.0011","14.0825","0.0013","91.101","0.006","97.128","0.005","90.515","0.004","1597.4","0.2","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0716","","","","0.2091","","","","","","1.092","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228006","10.5112","0.0005","16.4981","0.0007","22.863","0.001","90","","90.391","0.001","90","","3964.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 17(H2O)","","","- C27 H50 Co Gd N9 O20.5 -","- C27 H50 Co Gd N9 O20.5 -","- C108 H200 Co4 Gd4 N36 O82 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0734","0.0483","","","0.1124","0.1206","","","","","","1","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228007","10.4992","0.0004","21.4101","0.0009","16.8664","0.0007","90","","95.879","0.001","90","","3771.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 13(H2O)","","","- C27 H46 Co Gd N9 O18.5 -","- C27 H46 Co Gd N9 O18.5 -","- C108 H184 Co4 Gd4 N36 O74 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0272","0.023","","","0.0478","0.049","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228008","10.6445","0.0006","10.6445","0.0006","36.732","0.003","90","","90","","120","","3604.3","0.4","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","[Gd(dipic)3] [Co(sar)(NO2)2] * 12(H2O)","","","- C35 H63 Co Gd N11 O28 -","- C35 H39 Co Gd N11 O28 -","- C105 H117 Co3 Gd3 N33 O84 -","3","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0828","0.0458","","","0.0718","0.0776","","","","","","1.001","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228009","32.494","0.002","10.6067","0.0006","22.729","0.001","90","","115.372","0.001","90","","7078","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2[La(dipic)3] 2(CoEn3) * 9(H2O)","","","- C54 H84 Co2 La2 N18 O33 -","- C54 H84 Co2 La2 N18 O33 -","- C216 H336 Co8 La8 N72 O132 -","4","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0594","0.0332","","","0.0738","0.0821","","","","","","1.004","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228010","15.191","0.001","10.5019","0.0009","22.891","0.002","90","","107.102","0.002","90","","3490.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[La(dipic)3] [CoEn3] * 4(H2O)","","","- C27 H41 Co La N9 O16 -","- C27 H41 Co La N9 O16 -","- C108 H164 Co4 La4 N36 O64 -","4","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0813","0.0443","","","0.0911","0.1022","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228011","10.6171","0.0005","21.464","0.001","16.9092","0.0009","90","","96.623","0.001","90","","3827.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[La(dipic)3] 2[CoEn3] * 13(H2O)","","","- C54 H92 Co2 La2 N18 O37 -","- C54 H90 Co2 La2 N18 O37 -","- C108 H180 Co4 La4 N36 O74 -","2","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0388","0.0299","","","0.0603","0.0628","","","","","","1","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228012","5.8787","0.0003","8.2985","0.0004","13.07","0.002","81.714","0.008","87.395","0.008","82.183","0.004","624.88","0.11","293","2","293","2","","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0716","0.0442","","","0.0868","0.1008","","","","","","1.095","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228013","6.3489","0.0004","8.8785","0.0005","13.387","0.003","81.965","0.01","85.674","0.01","84.251","0.005","742","0.18","293","2","293","2","","","330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1003","0.0526","","","0.1161","0.1425","","","","","","0.972","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228014","6.2278","0.0005","9.026","0.002","13.3215","0.0014","79.608","0.013","86.913","0.008","85.99","0.013","734.09","0.19","293","2","293","2","460000","","460000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.163","0.0772","","","0.1557","0.2054","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228015","5.7365","0.0003","8.0902","0.0004","12.894","0.002","82.422","0.008","88.028","0.008","82.178","0.004","587.58","0.1","293","2","293","2","","","6830000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0798","0.0502","","","0.1029","0.1185","","","","","","1.098","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228016","5.8913","0.0003","8.5944","0.0015","12.8846","0.0015","80.681","0.012","85.494","0.007","85.723","0.009","640.51","0.14","293","2","293","2","3000000","","3000000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.116","0.066","","","0.1148","0.1407","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228017","5.7168","0.0004","8.3457","0.0014","12.6434","0.001","81.496","0.001","84.436","0.007","85.47","0.011","592.5","0.12","293","2","293","2","6100000","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.09","0.0539","","","0.1071","0.1256","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228018","5.7996","0.0003","8.1816","0.0004","12.978","0.003","82.064","0.009","87.702","0.009","82.134","0.004","604.03","0.15","293","2","293","2","","","5450000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0646","0.0412","","","0.0828","0.097","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228019","5.8202","0.0003","8.536","0.005","12.7885","0.0014","80.81","0.02","85.069","0.006","85.606","0.014","623.6","0.4","293","2","293","2","4030000","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1015","0.0573","","","0.1133","0.1356","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228020","5.7694","0.0003","8.1369","0.0004","12.941","0.003","82.207","0.009","87.842","0.009","82.147","0.004","596.15","0.15","293","2","293","2","","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0666","0.0437","","","0.0895","0.1034","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228021","5.9272","0.0003","8.3697","0.0004","13.124","0.002","81.58","0.008","87.185","0.008","82.254","0.004","637.89","0.11","293","2","293","2","","","3320000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0719","0.0416","","","0.0691","0.078","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228022","5.9669","0.0003","8.6945","0.0018","12.9785","0.0009","80.432","0.01","85.884","0.005","85.774","0.008","660.93","0.15","293","2","293","2","2130000","","2130000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1204","0.0664","","","0.1401","0.172","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228023","6.0542","0.0006","8.807","0.003","13.095","0.002","80.05","0.02","86.26","0.011","85.728","0.019","684.8","0.3","293","2","293","2","1330000","","1330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1434","0.075","","","0.1709","0.2213","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228024","6.0717","0.0003","8.5574","0.0005","13.251","0.002","81.402","0.009","86.675","0.009","82.667","0.005","674.66","0.12","293","2","293","2","","","1730000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0802","0.0465","","","0.0964","0.1153","","","","","","0.935","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228025","5.9122","0.0003","8.617","0.004","12.915","0.0017","80.61","0.019","85.576","0.007","85.688","0.012","645.9","0.3","293","2","293","2","2720000","","2720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1297","0.0727","","","0.1649","0.2127","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228026","5.7692","0.0002","8.421","0.002","12.7212","0.0011","81.231","0.012","84.74","0.005","85.557","0.009","606.96","0.16","293","2","293","2","5010000","","5010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0928","0.053","","","0.0904","0.1092","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228027","5.9953","0.0003","8.4598","0.0004","13.189","0.002","81.453","0.009","86.954","0.009","82.427","0.004","655.35","0.11","293","2","293","2","","","2500000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0748","0.042","","","0.0933","0.1144","","","","","","0.986","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228028","6.1901","0.0004","8.6946","0.0006","13.321","0.003","81.572","0.011","86.221","0.01","83.18","0.005","703.32","0.17","293","2","293","2","","","1010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0854","0.0486","","","0.1118","0.1353","","","","","","0.943","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228029","5.8398","0.0003","8.2425","0.0004","13.031","0.003","81.891","0.008","87.556","0.008","82.156","0.004","614.98","0.15","293","2","293","2","","","4720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0679","0.0433","","","0.095","0.1081","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228053","8.5054","0.0002","10.2435","0.0002","10.9144","0.0003","63.35","0.002","71.042","0.002","82.5615","0.0019","803.65","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Yb -","- C15 H15 N O8 Yb -","- C30 H30 N2 O16 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","","0.71073","MoKα","","0.0168","0.0162","","","0.0362","0.0365","","","","","","1.067","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228054","10.56825","0.00017","12.66272","0.00019","6.6229","0.00013","90","","95.2274","0.0017","90","","882.61","0.03","296","3","296","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 O6 Yb -","- C9 H5 O6 Yb -","- C36 H20 O24 Yb4 -","4","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","1.54184","CuKα","","0.0627","0.0561","","","0.1522","0.1554","","","","","","1.066","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228055","18.295","0.0004","10.8482","0.0002","17.3984","0.0004","90","","101.395","0.002","90","","3384.96","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N O7.5 Yb -","- C15 H14 N O7.5 Yb -","- C120 H112 N8 O60 Yb8 -","8","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0478","0.0358","","","0.1042","0.1155","","","","","","1.03","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228056","8.4515","0.0002","12.3972","0.0004","12.568","0.0003","110.453","0.002","102.132","0.002","109.619","0.003","1079.2","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O9 Yb -","- C21 H20 N O9 Yb -","- C42 H40 N2 O18 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0452","0.0403","","","0.1032","0.1065","","","","","","1.041","","","","has coordinates,has disorder","196373","2020-10-21","18:00:00",""
"7228063","11.86816","0.00016","11.86816","0.00016","11.6198","0.0002","90","","90","","90","","1636.69","0.04","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Cl2 N8 O4 -","- C31 H32 Cl2 N8 O4 -","- C62 H64 Cl4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0713","0.0706","","0.194","0.194","0.194","","","","","","1.0673","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228064","11.6729","0.0015","11.8954","0.0009","26.963","0.002","101.982","0.007","91.167","0.008","90.664","0.008","3661.1","0.6","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C30.5 H39 N12 O14 -","- C30.5 H39 N12 O14 -","- C122 H156 N48 O56 -","4","2","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1618","0.1386","","0.3474","0.3309","0.3474","","","","","","0.9703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228065","12.07173","0.00018","12.07173","0.00018","11.3545","0.0003","90","","90","","90","","1654.65","0.06","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Br2 N8 O4 -","- C31 H32 Br2 N8 O4 -","- C62 H64 Br4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0754","0.0735","","0.188","0.1877","0.188","","","","","","1.0299","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228066","13.3818","0.0003","7.1209","0.0001","21.9744","0.0004","90","","95.8782","0.0019","90","","2082.94","0.07","150","","150","","","","","","","","synthesized","4","P 1 2/n 1","-P 2yac","13","","","","- C29 H32 Br4 N8 -","- C29 H32 Br4 N8 -","- C58 H64 Br8 N16 -","2","0.5","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0417","0.0386","","0.1014","0.0974","0.1014","","","","","","0.9495","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228067","11.7352","0.0002","11.7352","0.0002","25.3812","0.0013","90","","90","","90","","3495.4","0.2","150","","150","","","","","","","","synthesized","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H32 Cl4 N8 -","- C29 H32 Cl4 N8 -","- C116 H128 Cl16 N32 -","4","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1458","0.144","","0.2419","0.2413","0.2419","","","","","","1.0381","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228203","13.946","0.003","14.296","0.003","26.749","0.005","81.29","0.03","77.99","0.03","81.78","0.03","5121.7","1.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C226 H212 B2 Cl4 Cu6 F8 N8 O8 P12 -","2","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0558","0.0386","","","0.1029","0.1147","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228204","19.431","0.004","20.455","0.004","25.426","0.005","90","","91.9","0.03","90","","10100","3","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C109 H98 Cu3 F N4 O3 P6 -","- C109 H98 Cu3 F N4 O3 P6 -","- C436 H392 Cu12 F4 N16 O12 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0916","0.0519","","","0.1371","0.1536","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228205","27.9483","0.0003","21.5782","0.0002","36.4721","0.0004","90","","90","","90","","21995.4","0.4","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C113 H104 Cu3 N5 O5 P6 -","- C113 H104 Cu3 N5 O5 P6 -","- C904 H832 Cu24 N40 O40 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","1.54178","CuKα","","0.0551","0.0464","","","0.1171","0.1247","","","","","","1.036","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228206","20.044","0.004","26.268","0.005","20.139","0.004","90","","96.56","0.03","90","","10534","4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H86 Cu3 F7 N4 O2 P6 -","- C107 H86 Cu3 F7 N4 O2 P6 -","- C428 H344 Cu12 F28 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1597","0.0725","","","0.1813","0.2115","","","","","","1.015","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228207","17.551","0.004","30.505","0.006","19.142","0.004","90","","94.84","0.03","90","","10212","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H86 Cu3 F N6 O6 P6 -","- C105 H86 Cu3 F N6 O6 P6 -","- C420 H344 Cu12 F4 N24 O24 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0965","0.0514","","","0.1195","0.1453","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228208","47.4995","0.0014","15.3047","0.0004","29.9249","0.0009","90","","107.656","0.001","90","","20729.6","1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C856 H736 B4 Cu24 F24 N32 O32 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0944","0.0613","","","0.1719","0.1883","","","","","","1.061","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228209","13.861","0.003","33.095","0.007","22.888","0.005","90","","107.6","0.03","90","","10008","4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C452 H416 B4 Cu12 F16 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1188","0.0559","","","0.1238","0.1519","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228210","14.71","0.003","21.288","0.004","19.399","0.004","90","","110.49","0.03","90","","5690","2","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C113 H104 Cu3 F N4 O2 P6 -","- C114 H104 Cu3 F N4 O2 P6 -","- C228 H208 Cu6 F2 N8 O4 P12 -","2","0.5","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0843","0.0649","","","0.205","0.2199","","","","","","1.208","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228211","21.838","0.003","21.838","0.003","14.721","0.003","90","","90","","90","","7020","2","100","2","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H22 Cd N4 O9 -","- C30 H22 Cd N4 O9 -","- C240 H176 Cd8 N32 O72 -","8","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0239","0.0235","","","0.0622","0.0624","","","","","","1.105","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228212","9.166","0.0018","21.819","0.004","11.505","0.002","90","","96.39","0.03","90","","2286.6","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H36 Mn N6 O16 -","- C52 H36 Mn N6 O16 -","- C104 H72 Mn2 N12 O32 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0574","0.0481","","","0.1165","0.1219","","","","","","1.046","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228213","11.947","0.002","13.534","0.003","14.618","0.003","81.85","0.03","66.46","0.03","89.84","0.03","2141.2","0.9","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.11","0.09","","","0.2242","0.2444","","","","","","1.051","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228214","18.324","0.004","23.774","0.005","14.04","0.003","90","","90","","90","","6116","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C105 H95 Mn4 N15 O39 -","- C105 H95 Mn4 N15 O39 -","- C210 H190 Mn8 N30 O78 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0653","0.0581","","","0.1671","0.1768","","","","","","1.044","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228215","8.302","0.0017","14.375","0.003","17.195","0.003","66.8","0.03","88.82","0.03","78.25","0.03","1842.6","0.8","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0427","0.0419","","","0.1157","0.1165","","","","","","1.093","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228216","17.345","0.004","22.362","0.005","13.817","0.003","90","","90","","90","","5359","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.3 H42.3 N8 O17 Zn2 -","- C60.3 H42.3 N8 O17 Zn2 -","- C241.2 H169.2 N32 O68 Zn8 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0656","0.0617","","","0.175","0.1795","","","","","","1.041","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228217","18.674","0.004","23.894","0.005","14.086","0.003","90","","90","","90","","6285","2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H88 Cd4 N14 O38 -","- C102 H88 Cd4 N14 O38 -","- C204 H176 Cd8 N28 O76 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0499","0.0417","","","0.1112","0.1167","","","","","","1.035","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228218","16.984","0.002","16.984","0.002","21.78","0.004","90","","90","","90","","6282.6","1.6","100","","100","","","","","","","","","5","P 42","P 4c","77","","","","- C59 H55 Cd2 N9 O20 -","- C59 H55 Cd2 N9 O20 -","- C236 H220 Cd8 N36 O80 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.1415","0.0883","","","0.261","0.3085","","","","","","1.048","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228219","15.369","0.003","17.967","0.004","18.47","0.004","90","","107.96","0.03","90","","4852","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H48 Cd2 N12 O24 -","- C88 H48 Cd2 N12 O24 -","- C176 H96 Cd4 N24 O48 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0552","0.0488","","","0.1355","0.1402","","","","","","1.062","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228220","6.468","0.0013","7.7544","0.0016","8.6026","0.0017","97.267","0.017","109.253","0.018","96.531","0.017","398.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0572","0.0401","","","0.0809","0.0841","","","","","","0.941","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228221","6.2433","0.0004","8.0884","0.0006","8.6219","0.0007","71.541","0.007","79.573","0.006","85.986","0.006","406.13","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0475","0.0412","","","0.0935","0.0985","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228222","10.8252","0.001","7.7396","0.0003","15.366","0.0006","90","","95.439","0.005","90","","1281.61","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 Ni O10 S2 -","- C22 H30 N4 Ni O10 S2 -","- C44 H60 N8 Ni2 O20 S4 -","2","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.038","0.0323","","","0.0827","0.087","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228223","6.2388","0.0002","8.1434","0.0002","8.6344","0.0003","71.421","0.003","79.6","0.003","85.781","0.002","408.92","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0865","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228382","14.6718","0.0005","22.9104","0.0008","23.5888","0.0009","90","","104.564","0.004","90","","7674.3","0.5","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N7 O10 -","- C72 H109 Cl4 N7 O10 -","- C288 H436 Cl16 N28 O40 -","4","1","","Zhu, Jing-Yi; Li, Fu-Min; Yao, Lin; Han, Cong-Cong; Li, Shu-Ni; Zeng, Jing-Hui; Jiang, Jia-Xing; Lee, Jong-Min; Chen, Yu","In situ bubble template-assisted synthesis of phosphonate-functionalized Rh nanodendrites and their catalytic application","CrystEngComm","2017","19","21","2946","","10.1039/C7CE00606C","","","0.71073","MoKα","","0.1167","0.0929","","","0.2554","0.2772","","","","","","1.025","","","","has coordinates","197220","2020-10-21","18:00:00",""
"7236488","32.4215","0.0006","9.5567","0.0002","25.2788","0.0004","90","","90","","90","","7832.4","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Br4 N14 O8 Zn2 -","- C80 H66 Br4 N14 O8 Zn2 -","- C320 H264 Br16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.1249","0.0873","","","0.2458","0.2892","","","","","","1.024","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236489","32.2944","0.0008","9.5094","0.0002","25.206","0.0006","90","","90","","90","","7740.8","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Cl4 N14 O8 Zn2 -","- C80 H62 Cl4 N14 O8 Zn2 -","- C320 H248 Cl16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.0977","0.0681","","","0.1963","0.2219","","","","","","1.052","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236490","32.2573","0.0004","9.3547","0.0001","25.2417","0.0003","90","","90","","90","","7616.87","0.15","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C76 H60 I4 N12 O8 Zn2 -","- C76 H60 I4 N12 O8 Zn2 -","- C304 H240 I16 N48 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.092","0.0726","","","0.2108","0.2358","","","","","","1.049","","","","has coordinates,has disorder","235610","2020-10-21","18:00:00",""
"7236491","13.068","0.002","8.854","0.002","18.676","0.004","90","","90","","90","","2160.9","0.7","353","2","353","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0794","0.0628","","","0.1828","0.2155","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236492","13.3332","0.0004","8.7654","0.0002","17.6823","0.0005","90","","90","","90","","2066.55","0.1","296","2","296","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0367","0.0267","","","0.0735","0.0802","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236493","10.914","0.0009","20.5461","0.0015","11.5001","0.0008","90","","90","","90","","2578.8","0.3","293","2","293","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C12 H26 B2 Fe N18 O6 -","- C12 H26 B2 Fe N18 O6 -","- C48 H104 B8 Fe4 N72 O24 -","4","0.25","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0476","0.0356","","","0.0884","0.095","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236494","14.738","0.002","14.738","0.002","12.257","0.003","90","","90","","120","","2305.6","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","In-BDC-NH2","","- C12 H8.25 In0.75 N1.5 O6 -","- C12 H8.2503 In0.75 N1.5 O6 -","- C48 H33.0012 In3 N6 O24 -","4","0.333333","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0317","0.0281","","","0.0677","0.0682","","","","","","0.966","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236495","6.7","0.0013","9.21","0.0018","15.04","0.003","78.47","0.03","78.31","0.03","89.31","0.03","890.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","H2BDC-NH2/NO2","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","2","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0842","0.0586","","","0.1591","0.1801","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236496","24.8947","0.0001","24.8947","0.0001","24.8947","0.0001","90","","90","","90","","15428.4","0.11","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C36 H12 In3 N9 O28 -","- C33 H12 In3 N9 O28 -","- C264 H96 In24 N72 O224 -","8","0.166667","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.6889","synchrotron","","0.0343","0.0336","","","0.097","0.0979","","","","","","1.104","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236497","6.0405","0.0002","7.9031","0.0002","17.1183","0.001","95.991","0.004","96.311","0.004","107.186","0.004","767.88","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(cytosine-kN4)ruthenium(II)]","","- C14 H19 Cl2 N3 O Ru -","- C14 H19 Cl2 N3 O Ru -","- C28 H38 Cl4 N6 O2 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.036","0.03","","","0.0615","0.0645","","","","","","1.068","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236498","7.621","0.0003","25.8409","0.0008","8.7978","0.0003","90","","113.45","0.005","90","","1589.48","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(p-cymene)bis(chlorido)(hypoxanthine-kN9)ruthenium(II)]","","- C15 H18 Cl2 N4 O Ru -","- C15 H18 Cl2 N4 O Ru -","- C60 H72 Cl8 N16 O4 Ru4 -","4","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.025","0.0216","","","0.0474","0.0488","","","","","","1.049","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236499","8.5593","0.0005","10.1279","0.0007","11.1478","0.0008","101.641","0.006","110.181","0.006","99.969","0.005","856.87","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(5-aminouracil-kN5)ruthenium(II)]","","- C14 H19 Cl2 N3 O2 Ru -","- C14 H19 Cl2 N3 O2 Ru -","- C28 H38 Cl4 N6 O4 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0289","0.0268","","","0.067","0.0692","","","","","","1.078","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236500","6.6956","0.0013","15.2432","0.001","17.81","0.003","67.308","0.011","80.069","0.015","89.881","0.009","1647.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(2-thiouracil-kS2)ruthenium(II)]","","- C14 H18 Cl2 N2 O Ru S -","- C14 H18 Cl2 N2 O Ru S -","- C56 H72 Cl8 N8 O4 Ru4 S4 -","4","2","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0746","0.0488","","","0.1178","0.1267","","","","","","0.944","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236501","14.4901","0.0003","14.4901","0.0003","17.3192","0.0007","90","","90","","90","","3636.39","0.18","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","[tetrakis(p-cymene)tetrakis(mu-cytosinato-kN1:kO2,kN3)tetraruthenium(II)] triflate","","- C60 H72 F12 N12 O16 Ru4 S4 -","- C60 H72 F12 N12 O16 Ru4 S4 -","- C120 H144 F24 N24 O32 Ru8 S8 -","2","0.25","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0685","0.0579","","","0.1379","0.146","","","","","","1.041","","","","has coordinates,has disorder","235620","2020-10-21","18:00:00",""